![(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile structure](/static/products/797/797799-95-2.png)
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile
TL;DR: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile (CAS 797799-95-2) is a chemical compound with molecular formula C20H14FN3O2S and molecular weight 379.08 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-(5-fluoro-2-methylanilino)prop-2-enenitrile
Also Known As: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((5-fluoro-2-methylphenyl)amino)acrylonitrile, (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-fluoro-2-methylanilino)prop-2-enenitrile
| Molecular Formula | C20H14FN3O2S |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 4.9629 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.07907 |
| Heavy Atoms | 27 |
| Complexity | 1085.0712 |
Chemical Identifiers
| CAS Number | 797799-95-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile (CAS 797799-95-2), with molecular formula C20H14FN3O2S and molecular weight 379.08 g/mol. IUPAC: (Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-fluoro-2-methylanilino)prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile
Property Insights of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile
The XLogP value of 4.9629 indicates that (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)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-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile?
The CAS number of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile is 797799-95-2.
What is the molecular formula of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile?
The molecular formula of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile is C20H14FN3O2S.
What is the molecular weight of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile?
The molecular weight of (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile is 379.08 g/mol.
Where can I buy (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile?
You can request a quote for (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)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-[(5-fluoro-2-methylphenyl)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-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.