![(E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile structure](/static/products/4633/463319-05-3.webp)
(E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile
TL;DR: (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile (CAS 463319-05-3) is a chemical compound with molecular formula C16H8ClFN2S and molecular weight 314.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enenitrile
Also Known As: (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile, 2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile, F3139-0965, (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enenitrile, (2E)-2-(1,3-Benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-2-propenenitrile
| Molecular Formula | C16H8ClFN2S |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 5.15298 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0081 |
| Heavy Atoms | 21 |
| Complexity | 839.4235 |
Chemical Identifiers
| CAS Number | 463319-05-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=C(C=CC=C3Cl)F)/C#N |
Product Overview
(E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile (CAS 463319-05-3), with molecular formula C16H8ClFN2S and molecular weight 314.01 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile
Property Insights of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile
The XLogP value of 5.15298 indicates that (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile 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 (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile?
The CAS number of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile is 463319-05-3.
What is the molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile?
The molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile is C16H8ClFN2S.
What is the molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile?
The molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile is 314.01 g/mol.
Where can I buy (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile?
You can request a quote for (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzo[d]thiazol-2-yl)-3-(2-chloro-6-fluorophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.