(E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile (CAS 374097-83-3) is a chemical compound with molecular formula C22H19Cl2N3OS and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-butoxyanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(3-butoxyanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(3-butoxyphenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H19Cl2N3OS |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 7.27238 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.0626 |
| Heavy Atoms | 29 |
| Complexity | 1056.206 |
Chemical Identifiers
| CAS Number | 374097-83-3 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
(E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile (CAS 374097-83-3), with molecular formula C22H19Cl2N3OS and molecular weight 443.06 g/mol. IUPAC: (E)-3-(3-butoxyanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 7.27238 indicates that (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 5 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-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile is 374097-83-3.
What is the molecular formula of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile is C22H19Cl2N3OS.
What is the molecular weight of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile is 443.06 g/mol.
Where can I buy (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)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-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-butoxyphenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.