N-benzyl-3-((4-fluorophenyl)thio)propanamide
TL;DR: N-benzyl-3-((4-fluorophenyl)thio)propanamide (CAS 896357-27-0) is a chemical compound with molecular formula C16H16FNOS and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
Also Known As: N-benzyl-3-((4-fluorophenyl)thio)propanamide, N-benzyl-3-[(4-fluorophenyl)sulfanyl]propanamide, N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide, N-benzyl3-(p-fluorophenylthio)propionamide, F2537-1833
| Molecular Formula | C16H16FNOS |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 3.6243 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.09366 |
| Heavy Atoms | 20 |
| Complexity | 542.16315 |
Chemical Identifiers
| CAS Number | 896357-27-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCSC2=CC=C(C=C2)F |
Product Overview
N-benzyl-3-((4-fluorophenyl)thio)propanamide (CAS 896357-27-0), with molecular formula C16H16FNOS and molecular weight 289.09 g/mol. IUPAC: N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide.
Chemical Property Profile of N-benzyl-3-((4-fluorophenyl)thio)propanamide
Property Insights of N-benzyl-3-((4-fluorophenyl)thio)propanamide
The XLogP value of 3.6243 indicates that N-benzyl-3-((4-fluorophenyl)thio)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-benzyl-3-((4-fluorophenyl)thio)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-((4-fluorophenyl)thio)propanamide has 1 hydrogen bond donor(s) and 2 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-benzyl-3-((4-fluorophenyl)thio)propanamide?
The CAS number of N-benzyl-3-((4-fluorophenyl)thio)propanamide is 896357-27-0.
What is the molecular formula of N-benzyl-3-((4-fluorophenyl)thio)propanamide?
The molecular formula of N-benzyl-3-((4-fluorophenyl)thio)propanamide is C16H16FNOS.
What is the molecular weight of N-benzyl-3-((4-fluorophenyl)thio)propanamide?
The molecular weight of N-benzyl-3-((4-fluorophenyl)thio)propanamide is 289.09 g/mol.
Where can I buy N-benzyl-3-((4-fluorophenyl)thio)propanamide?
You can request a quote for N-benzyl-3-((4-fluorophenyl)thio)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-((4-fluorophenyl)thio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-((4-fluorophenyl)thio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.