(2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile
TL;DR: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile (CAS 392739-39-8) is a chemical compound with molecular formula C17H11BrN2O2S and molecular weight 385.97 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-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile
Also Known As: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile, (2Z)-2-benzothiazol-2-yl-3-(5-bromo-3-hydroxy-4-methoxyphenyl)prop-2-enenitril e, (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile, (Z)-2-(benzo[d]thiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)acrylonitrile
| Molecular Formula | C17H11BrN2O2S |
|---|---|
| Molecular Weight | 385.97 g/mol |
| LogP | 4.83718 |
| Topological Polar Surface Area | 66.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.97247 |
| Heavy Atoms | 23 |
| Complexity | 900.622 |
Chemical Identifiers
| CAS Number | 392739-39-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)/C=C(/C#N)\C2=NC3=CC=CC=C3S2)O |
Product Overview
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile (CAS 392739-39-8), with molecular formula C17H11BrN2O2S and molecular weight 385.97 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile
Property Insights of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 4.83718 indicates that (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile has 1 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-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile?
The CAS number of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile is 392739-39-8.
What is the molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile is C17H11BrN2O2S.
What is the molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile is 385.97 g/mol.
Where can I buy (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)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-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.