![(2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/683/683258-38-0.png)
(2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 683258-38-0) is a chemical compound with molecular formula C18H9Cl3FN3S and molecular weight 422.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-4-fluoroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F1110-0364, (E)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(3,4-dichlorophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(3-chloro-4-fluoroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(3-chloro-4-fluoro-phenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H9Cl3FN3S |
|---|---|
| Molecular Weight | 422.96 g/mol |
| LogP | 6.88598 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.95667 |
| Heavy Atoms | 26 |
| Complexity | 1040.4009 |
Chemical Identifiers
| CAS Number | 683258-38-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CSC(=N2)/C(=C/NC3=CC(=C(C=C3)F)Cl)/C#N)Cl)Cl |
Product Overview
(2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 683258-38-0), with molecular formula C18H9Cl3FN3S and molecular weight 422.96 g/mol. IUPAC: (E)-3-(3-chloro-4-fluoroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 6.88598 indicates that (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile 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 (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 683258-38-0.
What is the molecular formula of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is C18H9Cl3FN3S.
What is the molecular weight of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 422.96 g/mol.
Where can I buy (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.