![(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile structure](/static/products/683/683258-52-8.png)
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile
TL;DR: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile (CAS 683258-52-8) is a chemical compound with molecular formula C19H11ClFN3O2S and molecular weight 399.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-fluoroanilino)prop-2-enenitrile
Also Known As: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((3-chloro-4-fluorophenyl)amino)acrylonitrile, (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-fluoroanilino)prop-2-enenitrile
| Molecular Formula | C19H11ClFN3O2S |
|---|---|
| Molecular Weight | 399.02 g/mol |
| LogP | 5.30788 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.02444 |
| Heavy Atoms | 27 |
| Complexity | 1090.7991 |
Chemical Identifiers
| CAS Number | 683258-52-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C\NC4=CC(=C(C=C4)F)Cl)/C#N |
Product Overview
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile (CAS 683258-52-8), with molecular formula C19H11ClFN3O2S and molecular weight 399.02 g/mol. IUPAC: (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-fluoroanilino)prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile
Property Insights of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile
The XLogP value of 5.30788 indicates that (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile 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 (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile 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 (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile?
The CAS number of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile is 683258-52-8.
What is the molecular formula of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile?
The molecular formula of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile is C19H11ClFN3O2S.
What is the molecular weight of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile?
The molecular weight of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile is 399.02 g/mol.
Where can I buy (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile?
You can request a quote for (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]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 (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.