(Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile
TL;DR: (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile (CAS 683258-44-8) is a chemical compound with molecular formula C22H19ClFN3S and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3-chloro-4-fluoroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile, (2Z)-3-[(3-chloro-4-fluorophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile, (Z)-3-(3-chloro-4-fluoroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H19ClFN3S |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 6.77768 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.09723 |
| Heavy Atoms | 28 |
| Complexity | 1032.6805 |
Chemical Identifiers
| CAS Number | 683258-44-8 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)/C(=C\NC3=CC(=C(C=C3)F)Cl)/C#N |
Product Overview
(Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile (CAS 683258-44-8), with molecular formula C22H19ClFN3S and molecular weight 411.10 g/mol. IUPAC: (Z)-3-(3-chloro-4-fluoroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile
Property Insights of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 6.77768 indicates that (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)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 48.71 Ų, (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile is 683258-44-8.
What is the molecular formula of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile is C22H19ClFN3S.
What is the molecular weight of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile is 411.10 g/mol.
Where can I buy (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)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 (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(4-isobutylphenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.