(E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile
TL;DR: (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile (CAS 376619-68-0) 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)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile, VU0513506-1, (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3,4-dimethoxyphenyl)amino]prop-2-enenitrile, F3220-0859, (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)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 | 376619-68-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)Br)OC |
Product Overview
(E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile (CAS 376619-68-0), with molecular formula C20H16BrN3O2S and molecular weight 441.01 g/mol. IUPAC: (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile
Property Insights of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile
The XLogP value of 5.56638 indicates that (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)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)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)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)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile?
The CAS number of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile is 376619-68-0.
What is the molecular formula of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile?
The molecular formula of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile is C20H16BrN3O2S.
What is the molecular weight of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile?
The molecular weight of (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile is 441.01 g/mol.
Where can I buy (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile?
You can request a quote for (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)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-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(3-bromophenyl)thiazol-2-yl)-3-((3,4-dimethoxyphenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.