2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide
TL;DR: 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide (CAS 306980-84-7) is a chemical compound with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-cyano-4-methylsulfanylphenyl)benzamide
Also Known As: 2-chloro-N-[3-cyano-4-(methylsulfanyl)phenyl]benzamide, 12K-580S, 2-chloro-N-(3-cyano-4-methylsulfanylphenyl)benzamide, 2-chloro-N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide, 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide
| Molecular Formula | C15H11ClN2OS |
|---|---|
| Molecular Weight | 302.03 g/mol |
| LogP | 4.18588 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.02808 |
| Heavy Atoms | 20 |
| Complexity | 694.5131 |
Chemical Identifiers
| CAS Number | 306980-84-7 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Cl)C#N |
Product Overview
2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide (CAS 306980-84-7), with molecular formula C15H11ClN2OS and molecular weight 302.03 g/mol. IUPAC: 2-chloro-N-(3-cyano-4-methylsulfanylphenyl)benzamide.
Chemical Property Profile of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide
Property Insights of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide
The XLogP value of 4.18588 indicates that 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-(3-cyano-4-(methylsulfanyl)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-(methylsulfanyl)phenyl)benzenecarboxamide?
The CAS number of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide is 306980-84-7.
What is the molecular formula of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide?
The molecular formula of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide is C15H11ClN2OS.
What is the molecular weight of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide?
The molecular weight of 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide is 302.03 g/mol.
Where can I buy 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide?
You can request a quote for 2-Chloro-N-(3-cyano-4-(methylsulfanyl)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-(methylsulfanyl)phenyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(3-cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.