![3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide structure](/static/products/4777/477709-95-8.webp)
3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide
TL;DR: 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide (CAS 477709-95-8) is a chemical compound with molecular formula C21H14Cl2N2O2S and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]benzamide
Also Known As: 1L-508S, 3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]benzamide, 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide, 3,4-dichloro-N-[3-cyano-4-(4-methylbenzenesulfinyl)phenyl]benzamide, 3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfinyl-phenyl]benzamide
| Molecular Formula | C21H14Cl2N2O2S |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 5.5925 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0153 |
| Heavy Atoms | 28 |
| Complexity | 1122.2397 |
Chemical Identifiers
| CAS Number | 477709-95-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N |
Product Overview
3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide (CAS 477709-95-8), with molecular formula C21H14Cl2N2O2S and molecular weight 428.02 g/mol. IUPAC: 3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide
Property Insights of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide
The XLogP value of 5.5925 indicates that 3,4-dichloro-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 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
The CAS number of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is 477709-95-8.
What is the molecular formula of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
The molecular formula of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is C21H14Cl2N2O2S.
What is the molecular weight of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
The molecular weight of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide is 428.02 g/mol.
Where can I buy 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
You can request a quote for 3,4-dichloro-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 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfinyl]phenyl}benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.