(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile
TL;DR: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile (CAS 118055-19-9) is a chemical compound with molecular formula C16H9BrN2S and molecular weight 339.97 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-(4-bromophenyl)prop-2-enenitrile
Also Known As: BAS 00687494, 2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)acrylonitrile, (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile, 2-Benzothiazol-2-yl-3-(4-bromo-phenyl)-acrylonitrile, (Z)-2-(benzo[d]thiazol-2-yl)-3-(4-bromophenyl)acrylonitrile
| Molecular Formula | C16H9BrN2S |
|---|---|
| Molecular Weight | 339.97 g/mol |
| LogP | 5.12298 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.96698 |
| Heavy Atoms | 20 |
| Complexity | 792.5542 |
Chemical Identifiers
| CAS Number | 118055-19-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(C=C3)Br)/C#N |
Product Overview
(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile (CAS 118055-19-9), with molecular formula C16H9BrN2S and molecular weight 339.97 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile
Property Insights of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile
The XLogP value of 5.12298 indicates that (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile?
The CAS number of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile is 118055-19-9.
What is the molecular formula of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile?
The molecular formula of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile is C16H9BrN2S.
What is the molecular weight of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile?
The molecular weight of (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile is 339.97 g/mol.
Where can I buy (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile?
You can request a quote for (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)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 (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.