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N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide
TL;DR: N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide (CAS 306980-89-2) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4-methylsulfanylphenyl)benzamide
Also Known As: N-[3-cyano-4-(methylsulfanyl)phenyl]benzamide, N-(3-cyano-4-methylsulfanylphenyl)benzamide, N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide, 12K-585S, N-(3-Cyano-4-(methylsulfanyl)phenyl)benzenecarboxamide
| Molecular Formula | C15H12N2OS |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.53248 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.06705 |
| Heavy Atoms | 19 |
| Complexity | 632.339 |
Chemical Identifiers
| CAS Number | 306980-89-2 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)C#N |
Product Overview
N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide (CAS 306980-89-2), with molecular formula C15H12N2OS and molecular weight 268.07 g/mol. IUPAC: N-(3-cyano-4-methylsulfanylphenyl)benzamide.
Chemical Property Profile of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide
Property Insights of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide
The XLogP value of 3.53248 indicates that 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, N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide?
The CAS number of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide is 306980-89-2.
What is the molecular formula of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide?
The molecular formula of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide is C15H12N2OS.
What is the molecular weight of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide?
The molecular weight of N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide is 268.07 g/mol.
Where can I buy N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide?
You can request a quote for 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 N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-cyano-4-(methylsulfanyl)phenyl]benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.