Benzoic acid, 3-(((3R,4R)-6-((5-fluoro-2-benzothiazolyl)methoxy)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl)methyl)-

Base Information

• Chemical Name: Benzoic acid, 3-(((3R,4R)-6-((5-fluoro-2-benzothiazolyl)methoxy)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl)methyl)-
• CAS No.: 134002-60-1
• UNII: CU98Q2IL7P
• DSSTox Substance ID: DTXSID5047297
• Nikkaji Number: J1.185.773F
• Wikidata: Q27275800
• ChEMBL ID: CHEMBL442150
• Mol file: 134002-60-1.mol

Synonyms:CP-85958;134002-60-1;UNII-CU98Q2IL7P;CU98Q2IL7P;(+)-Cp 85958;Benzoic acid, 3-(((3R,4R)-6-((5-fluoro-2-benzothiazolyl)methoxy)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl)methyl)-;CP-085958;CHEMBL442150;DTXSID5047297;SCHEMBL1223366;DTXCID3027297;Tox21_300460;BDBM50070921;AKOS040751304;NCGC00248062-01;NCGC00254376-01;PD159570;CP-85,958;CAS-134002-60-1;(+)-CP-85958;Q27275800;(+)-cis-3-(3-carboxybenzyl)-4-hydroxy-6-(5-fluorobenzothiazol-2-ylmethoxy)chroman;3-[6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4-hydroxy-chroman-3-ylmethyl]-benzoic acid;3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4-hydroxy-chroman-3-ylmethyl]-benzoic acid;3-[[(3R,4R)-6-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Chemical Property of Benzoic acid, 3-(((3R,4R)-6-((5-fluoro-2-benzothiazolyl)methoxy)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl)methyl)-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 465.10462207
• Heavy Atom Count: 33
• Complexity: 685

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=C(S3)C=CC(=C4)F)O)CC5=CC(=CC=C5)C(=O)O
• Isomeric SMILES: C1[C@H]([C@H](C2=C(O1)C=CC(=C2)OCC3=NC4=C(S3)C=CC(=C4)F)O)CC5=CC(=CC=C5)C(=O)O