Dihydroxypropyltheobromine

Base Information Edit

Chemical Name:Dihydroxypropyltheobromine
CAS No.:13460-96-3
Molecular Formula:C10H14 N4 O4
Molecular Weight:254.246
Hs Code.:2933990090
European Community (EC) Number:236-660-3
NSC Number:515487
UNII:SU17H31P26
DSSTox Substance ID:DTXSID001043055
Nikkaji Number:J14.885G
Wikidata:Q27289395
ChEMBL ID:CHEMBL1533648
Mol file:13460-96-3.mol

Synonyms:Dihydroxypropyltheobromine;13460-96-3;Theocardin;Isobromin;Theocardine;1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;1-(2,3-Dihydroxypropyl)theobromine;1-Dihydroxypropyltheobromine;1-(2,3-dihydroxypropyl)-3,7-dimethylpurine-2,6-dione;Theobromine, 1-(2,3-dihydroxypropyl)-;EINECS 236-660-3;NSC 515487;BRN 0284032;UNII-SU17H31P26;MLS000028227;1-(2,3-Dihydroxypropyl)-3,7-dimethylxanthine;1-(beta,gamma-Dioxypropyl)-theobromin [German];1-(2,3-Dwuhydroksypropylo)-teobrominy [Polish];SU17H31P26;1H-Purine-2,6-dione, 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-;1-(beta,gamma-Dioxypropyl)-theobromin;NSC-515487;1-(2,3-Dwuhydroksypropylo)-teobrominy;SMR000001171;1H-Purine-2,6-dione, 3,7-dihydro-1-(2,3-dihydroxypropyl)-;1-(2,3-Dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione;4-26-00-02370 (Beilstein Handbook Reference);1-(2,3-Dihydroxypropyl-3,7-dimethyl-2,6(1H,3H)-purindion;1-(2,3-Dihydroxypropyl-3,7-dimethyl-2,6(1H,3H)-purindion [IUPAC];BAS 00162629;Opera_ID_827;1-(2,7-dimethylxanthine;Oprea1_046999;Oprea1_334572;SCHEMBL6779460;Theobromine,3-dihydroxypropyl)-;CHEMBL1533648;DTXSID001043055;HMS2366A21;NSC515487;STK840448;AKOS000576842;AKOS024303896;AS-79210;1-(.beta.,.gamma.-Dioxypropyl)theobromin;LS-149368;D93355;WLN: T56 BN DN FNVNVJ B1 F1 H1YQ1Q;SR-01000358876;SR-01000358876-1;Q27289395;1H-Purine-2, 3,7-dihydro-1-(2,3-dihydroxypropyl)-;1H-Purine-2, 1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-;1-(2,3-dihydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione;1-(2,3-dihydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of Dihydroxypropyltheobromine

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Biosynth Carbosynth
1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
5 mg
$ 420.00

Biosynth Carbosynth
1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
2 mg
$ 230.00

Biosynth Carbosynth
1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
1 mg
$ 150.00

American Custom Chemicals Corporation
1-(2,3-DIHYDROXY-PROPYL)-3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE 95.00%
5MG
$ 495.26

Total 6 raw suppliers

Chemical Property of Dihydroxypropyltheobromine Edit

Chemical Property:

Vapor Pressure:7.11E-15mmHg at 25°C
Boiling Point:592.3°Cat760mmHg
PKA:13.65±0.20(Predicted)
Flash Point:312°C
PSA：102.28000
Density:1.57g/cm³
LogP:-2.21310
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:254.10150494
Heavy Atom Count:18
Complexity:364

Purity/Quality:

99% ^*data from raw suppliers

1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CO)O
Uses Theocardin is a drug with central nervous system activity.

Technology Process of Dihydroxypropyltheobromine

There total 3 articles about Dihydroxypropyltheobromine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: