3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide
TL;DR: 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide (CAS 1026665-36-0) is a chemical compound with molecular formula C16H12ClN3OS and molecular weight 329.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide
Also Known As: 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide, N-(4-chlorophenyl)-2-cyano-3-(phenylamino)-3-sulfanylprop-2-enamide
Technical Specifications
| Molecular Formula | C16H12ClN3OS |
| Molecular Weight | 329.03897 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.03897 Da |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
| SMILES | C1=CC=C(C=C1)NC(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)S |
| InChIKey | JPUUTYUDSJWQEF-UHFFFAOYSA-N |
Chemical Property Profile of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide
Property Insights of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide
The XLogP value of 4.9 indicates that 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide. Following Lipinski's Rule of Five, 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide?
The CAS number of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide is 1026665-36-0.
What is the molecular formula of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide?
The molecular formula of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide is C16H12ClN3OS.
What is the molecular weight of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide?
The molecular weight of 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide is 329.03897 g/mol.
Where can I buy 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide?
You can request a quote for 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for 3-anilino-N-(4-chlorophenyl)-2-cyano-3-sulfanylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.