(E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 374097-69-5) is a chemical compound with molecular formula C20H16BrN3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromoanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile, (E)-3-(3-bromoanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(3-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acrylonitrile, 3-[(3-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(3-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C20H16BrN3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.56638 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.01465 |
| Heavy Atoms | 27 |
| Complexity | 1024.0614 |
Chemical Identifiers
| CAS Number | 374097-69-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC(=CC=C3)Br)/C#N)OC |
Product Overview
(E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 374097-69-5), with molecular formula C20H16BrN3O2S and molecular weight 441.01 g/mol. IUPAC: (E)-3-(3-bromoanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 5.56638 indicates that (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 374097-69-5.
What is the molecular formula of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is C20H16BrN3O2S.
What is the molecular weight of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 441.01 g/mol.
Where can I buy (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-bromophenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.