4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide
TL;DR: 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide (CAS 477497-72-6) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide
Also Known As: 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide, 4-cyano-N-{2-[(2-cyanoethyl)sulfanyl]phenyl}benzamide, 4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide, AB00685220-01, F0806-0848
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.81636 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 741.73474 |
Chemical Identifiers
| CAS Number | 477497-72-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#N)SCCC#N |
Product Overview
4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide (CAS 477497-72-6), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: 4-cyano-N-[2-(2-cyanoethylsulfanyl)phenyl]benzamide.
Chemical Property Profile of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide
Property Insights of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide
The XLogP value of 3.81636 indicates that 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide. Following Lipinski's Rule of Five, 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide has 1 hydrogen bond donor(s) and 4 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 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide?
The CAS number of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide is 477497-72-6.
What is the molecular formula of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide?
The molecular formula of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide is C17H13N3OS.
What is the molecular weight of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide?
The molecular weight of 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide is 307.08 g/mol.
Where can I buy 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide?
You can request a quote for 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-N-(2-((2-cyanoethyl)thio)phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.