(2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
TL;DR: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile (CAS 101081-10-1) is a chemical compound with molecular formula C16H9N3O2S and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 3-(4-Nitrophenyl)-2-(2-benzothiazolyl)acrylonitrile, (2S)-2-(aminomethyl)-3-phenylpropanoic acid,hydrochloride, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile, (Z)-2-Benzothiazol-2-yl-3-(4-nitro-phenyl)-acrylonitrile, alpha-[(Z)-4-Nitrobenzylidene]benzothiazole-2-acetonitrile
| Molecular Formula | C16H9N3O2S |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 4.26868 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.04153 |
| Heavy Atoms | 22 |
| Complexity | 887.4639 |
Chemical Identifiers
| CAS Number | 101081-10-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C#N |
Product Overview
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile (CAS 101081-10-1), with molecular formula C16H9N3O2S and molecular weight 307.04 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Property Insights of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.26868 indicates that (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile?
The CAS number of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile is 101081-10-1.
What is the molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile is C16H9N3O2S.
What is the molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile is 307.04 g/mol.
Where can I buy (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.