N-((苄硫基)氰甲基)苯甲酰胺
TL;DR: N-((苄硫基)氰甲基)苯甲酰胺 (CAS 31657-19-9) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-((苄硫基)氰甲基)苯甲酰胺
N-[benzylsulfanyl(cyano)methyl]benzamide
Also Known As: N-((Benzylthio)cyanomethyl)benzamide, Benzene,1-azido-2-methyl, Benzamide, N-((benzylthio)cyanomethyl)-, Benzoylamino-benzylmercapto-acetonitril, n-[(benzylsulfanyl)(cyano)methyl]benzamide
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 31657-19-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(C#N)NC(=O)C2=CC=CC=C2 |
| InChIKey | KEOJVGCGKRBADL-UHFFFAOYSA-N |
Product Overview
N-((苄硫基)氰甲基)苯甲酰胺 (CAS 31657-19-9), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: N-[benzylsulfanyl(cyano)methyl]benzamide.
Chemical Property Profile of N-((苄硫基)氰甲基)苯甲酰胺
Property Insights of N-((苄硫基)氰甲基)苯甲酰胺
The XLogP value of 3.3 indicates that N-((苄硫基)氰甲基)苯甲酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((苄硫基)氰甲基)苯甲酰胺. Following Lipinski's Rule of Five, N-((苄硫基)氰甲基)苯甲酰胺 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-((苄硫基)氰甲基)苯甲酰胺?
The CAS number of N-((苄硫基)氰甲基)苯甲酰胺 is 31657-19-9.
What is the molecular formula of N-((苄硫基)氰甲基)苯甲酰胺?
The molecular formula of N-((苄硫基)氰甲基)苯甲酰胺 is C16H14N2OS.
What is the molecular weight of N-((苄硫基)氰甲基)苯甲酰胺?
The molecular weight of N-((苄硫基)氰甲基)苯甲酰胺 is 282.08 g/mol.
Where can I buy N-((苄硫基)氰甲基)苯甲酰胺?
You can request a quote for N-((苄硫基)氰甲基)苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((苄硫基)氰甲基)苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-((苄硫基)氰甲基)苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.