N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide
TL;DR: N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide (CAS 320421-29-2) is a chemical compound with molecular formula C15H10F2N2OS and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4-methylsulfanylphenyl)-2,6-difluorobenzamide
Also Known As: 12K-596S, N-(3-cyano-4-methylsulfanylphenyl)-2,6-difluorobenzamide, N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide, N-[3-cyano-4-(methylsulfanyl)phenyl]-2,6-difluorobenzamide, N-[3-cyano-4-(methylsulfanyl)phenyl]-2,6-difluorobenzenecarboxamide
| Molecular Formula | C15H10F2N2OS |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.81068 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0482 |
| Heavy Atoms | 21 |
| Complexity | 720.68884 |
Chemical Identifiers
| CAS Number | 320421-29-2 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2F)F)C#N |
Product Overview
N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide (CAS 320421-29-2), with molecular formula C15H10F2N2OS and molecular weight 304.05 g/mol. IUPAC: N-(3-cyano-4-methylsulfanylphenyl)-2,6-difluorobenzamide.
Chemical Property Profile of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide
Property Insights of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide
The XLogP value of 3.81068 indicates that N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide 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 N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide?
The CAS number of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide is 320421-29-2.
What is the molecular formula of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide?
The molecular formula of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide is C15H10F2N2OS.
What is the molecular weight of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide?
The molecular weight of N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide is 304.05 g/mol.
Where can I buy N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide?
You can request a quote for N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Cyano-4-(methylsulfanyl)phenyl)-2,6-difluorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.