N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide
TL;DR: N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide (CAS 303147-48-0) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-2-methylsulfanylphenyl)cyclopropanecarboxamide
Also Known As: 11K-568S, N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide, N-[5-cyano-2-(methylsulfanyl)phenyl]cyclopropanecarboxamide, N-(5-cyano-2-methylsulfanylphenyl)cyclopropanecarboxamide
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.62868 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 460.57684 |
Chemical Identifiers
| CAS Number | 303147-48-0 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)C#N)NC(=O)C2CC2 |
Product Overview
N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide (CAS 303147-48-0), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: N-(5-cyano-2-methylsulfanylphenyl)cyclopropanecarboxamide.
Chemical Property Profile of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide
Property Insights of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide
The XLogP value of 2.62868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide 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-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide?
The CAS number of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide is 303147-48-0.
What is the molecular formula of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide?
The molecular formula of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide is C12H12N2OS.
What is the molecular weight of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide?
The molecular weight of N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide is 232.07 g/mol.
Where can I buy N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide?
You can request a quote for N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide 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-(methylsulfanyl)phenyl)cyclopropanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Cyano-2-(methylsulfanyl)phenyl)cyclopropanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.