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N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide
TL;DR: N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide (CAS 337923-97-4) is a chemical compound with molecular formula C21H16N2OS and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-2-phenylsulfanylphenyl)-4-methylbenzamide
Also Known As: N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide, N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzamide, N-(5-cyano-2-phenylsulfanylphenyl)-4-methylbenzamide, 10K-602S, N-(5-cyano-2-phenylsulfanyl-phenyl)-4-methyl-benzamide
| Molecular Formula | C21H16N2OS |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 5.2702 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.09833 |
| Heavy Atoms | 25 |
| Complexity | 928.3599 |
Chemical Identifiers
| CAS Number | 337923-97-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C#N)SC3=CC=CC=C3 |
Product Overview
N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide (CAS 337923-97-4), with molecular formula C21H16N2OS and molecular weight 344.10 g/mol. IUPAC: N-(5-cyano-2-phenylsulfanylphenyl)-4-methylbenzamide.
Chemical Property Profile of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide
Property Insights of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide
The XLogP value of 5.2702 indicates that N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide 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-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide 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 N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide?
The CAS number of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide is 337923-97-4.
What is the molecular formula of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide?
The molecular formula of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide is C21H16N2OS.
What is the molecular weight of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide?
The molecular weight of N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide is 344.10 g/mol.
Where can I buy N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide?
You can request a quote for N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-cyano-2-(phenylsulfanyl)phenyl]-4-methylbenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.