2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
TL;DR: 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide (CAS 599159-76-9) is a chemical compound with molecular formula C15H13FN2O3S and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
Also Known As: 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide, 2-(benzylsulfanyl)-N-(4-fluoro-3-nitrophenyl)acetamide, N-(4-fluoro-3-nitrophenyl)-2-(phenylmethylthio)acetamide
| Molecular Formula | C15H13FN2O3S |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 3.6058 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.06308 |
| Heavy Atoms | 22 |
| Complexity | 679.74274 |
Chemical Identifiers
| CAS Number | 599159-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide (CAS 599159-76-9), with molecular formula C15H13FN2O3S and molecular weight 320.06 g/mol. IUPAC: 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide.
Chemical Property Profile of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
Property Insights of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
The XLogP value of 3.6058 indicates that 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide 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 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide?
The CAS number of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide is 599159-76-9.
What is the molecular formula of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide?
The molecular formula of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide is C15H13FN2O3S.
What is the molecular weight of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide?
The molecular weight of 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide is 320.06 g/mol.
Where can I buy 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide?
You can request a quote for 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.