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N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide
TL;DR: N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide (CAS 335212-62-9) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(cyanomethyl)phenyl]-2-phenylsulfanylpropanamide
Also Known As: TimTec1_006620, BAS 02813350, N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide, N-[4-(cyanomethyl)phenyl]-2-phenylthiopropanamide, N-[4-(cyanomethyl)phenyl]-2-phenylsulfanylpropanamide
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.87198 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 632.0897 |
Chemical Identifiers
| CAS Number | 335212-62-9 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)CC#N)SC2=CC=CC=C2 |
Product Overview
N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide (CAS 335212-62-9), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: N-[4-(cyanomethyl)phenyl]-2-phenylsulfanylpropanamide.
Chemical Property Profile of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide
Property Insights of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide
The XLogP value of 3.87198 indicates that N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide 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-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide 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-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide?
The CAS number of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide is 335212-62-9.
What is the molecular formula of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide?
The molecular formula of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide is C17H16N2OS.
What is the molecular weight of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide?
The molecular weight of N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide is 296.10 g/mol.
Where can I buy N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide?
You can request a quote for N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(cyanomethyl)phenyl]-2-(phenylsulfanyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.