Name: Nepicastat
SKU: 173997-05-2

Products Categories

Pharmaceutical (67)
Organic Chemicals (8)
Others (7)
Synthetic Flavours & Fragrances (1)

Basic Information

Molecular Structure:
CAS No.:	173997-05-2
Name:	Nepicastat
Article Data:	3

Formula:	C₁₄H₁₆F₂N₃S
Molecular Weight:	296.358746 g/mol
Synonyms:	Nepicastat [INN];5-(Aminomethyl)-1-((S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl)-4-imidazoline-2-thione;Nepicastat;5-(aminomethyl)-1-(5,7-difluorotetralin-2-yl)-3H-imidazole-2-thione;
Density:	1.41 g/cm³
Boiling Point:	401.832 °C at 760 mmHg
Flash Point:	196.821 °C
PSA:	78.83000
LogP:	3.71290

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:77 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 173997-05-2

Specification

The CAS register number of Nepicastat is 173997-05-2. It also can be called as 5-(Aminomethyl)-1-((S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl)-4-imidazoline-2-thione and the IUPAC name about this chemical is 5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazol-1-ium-2-thione. The molecular formula about this chemical is C₁₄H₁₆F₂N₃S and the molecular weight is 296.358746.

Physical properties about Nepicastat are: (1)ACD/LogP: 1.63; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 73.38Å²; (10)Index of Refraction: 1.665; (11)Molar Refractivity: 77.86 cm³; (12)Molar Volume: 209.54 cm³; (13)Polarizability: 30.866x10^-24cm³; (14)Surface Tension: 63.246 dyne/cm; (15)Enthalpy of Vaporization: 65.29 kJ/mol; (16)Boiling Point: 401.832 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc3c(c(F)c1)CC[C@H](N2/C(=C\NC2=S)CN)C3
(2)InChI: InChI=1/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1
(3)InChIKey: YZZVIKDAOTXDEB-JTQLQIEIBJ
(4)Std. InChI: InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1
(5)Std. InChIKey: YZZVIKDAOTXDEB-JTQLQIEISA-N