![2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide structure](/static/products/4777/477709-94-7.webp)
2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide
TL;DR: 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide (CAS 477709-94-7) is a chemical compound with molecular formula C21H15ClN2O2S and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]benzamide
Also Known As: Bionet1_002281, 1L-507S, 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide, 2-chloro-N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]benzamide, 2-chloro-N-[3-cyano-4-(4-methylbenzenesulfinyl)phenyl]benzamide
| Molecular Formula | C21H15ClN2O2S |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 4.9391 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0543 |
| Heavy Atoms | 27 |
| Complexity | 1072.2849 |
Chemical Identifiers
| CAS Number | 477709-94-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C#N |
Product Overview
2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide (CAS 477709-94-7), with molecular formula C21H15ClN2O2S and molecular weight 394.05 g/mol. IUPAC: 2-chloro-N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]benzamide.
Chemical Property Profile of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide
Property Insights of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide
The XLogP value of 4.9391 indicates that 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide. Following Lipinski's Rule of Five, 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide has 1 hydrogen bond donor(s) and 3 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 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
The CAS number of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is 477709-94-7.
What is the molecular formula of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
The molecular formula of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is C21H15ClN2O2S.
What is the molecular weight of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
The molecular weight of 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is 394.05 g/mol.
Where can I buy 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
You can request a quote for 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.