![3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile structure](/static/products/5811/5811-58-5.webp)
3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile
TL;DR: 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile (CAS 5811-58-5) is a chemical compound with molecular formula C20H16FN3S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3,5-dimethylanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile, (Z)-3-(3,5-dimethylanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C20H16FN3S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 5.54262 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.1049 |
| Heavy Atoms | 25 |
| Complexity | 945.1015 |
Chemical Identifiers
| CAS Number | 5811-58-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)F)C |
Product Overview
3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile (CAS 5811-58-5), with molecular formula C20H16FN3S and molecular weight 349.10 g/mol. IUPAC: (Z)-3-(3,5-dimethylanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile
Property Insights of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile
The XLogP value of 5.54262 indicates that 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-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, 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-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 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile?
The CAS number of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile is 5811-58-5.
What is the molecular formula of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile?
The molecular formula of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile is C20H16FN3S.
What is the molecular weight of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile?
The molecular weight of 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile is 349.10 g/mol.
Where can I buy 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile?
You can request a quote for 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-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 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,5-dimethylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.