(E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 372505-74-3) is a chemical compound with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-4-methylanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile, (2E)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F0760-2104, (E)-3-(3-chloro-4-methylanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H18ClN3O2S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 5.7657 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0808 |
| Heavy Atoms | 28 |
| Complexity | 1069.7529 |
Chemical Identifiers
| CAS Number | 372505-74-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)Cl |
Product Overview
(E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile (CAS 372505-74-3), with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol. IUPAC: (E)-3-(3-chloro-4-methylanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 5.7657 indicates that (E)-3-((3-chloro-4-methylphenyl)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-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((3-chloro-4-methylphenyl)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-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 372505-74-3.
What is the molecular formula of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is C21H18ClN3O2S.
What is the molecular weight of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile is 411.08 g/mol.
Where can I buy (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((3-chloro-4-methylphenyl)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-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-chloro-4-methylphenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.