N-(4-nitrophenyl)-3-(p-tolylthio)propanamide
TL;DR: N-(4-nitrophenyl)-3-(p-tolylthio)propanamide (CAS 895466-58-7) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
Also Known As: N-(4-nitrophenyl)-3-(p-tolylthio)propanamide, N-p-nitrophenyl3-(p-tolylthio)propionamide, 3-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide, 3-[(4-methylphenyl)sulfanyl]-N-(4-nitrophenyl)propanamide, F2537-0449
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 4.02412 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 654.09607 |
Chemical Identifiers
| CAS Number | 895466-58-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-(4-nitrophenyl)-3-(p-tolylthio)propanamide (CAS 895466-58-7), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 3-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide.
Chemical Property Profile of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide
Property Insights of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide
The XLogP value of 4.02412 indicates that N-(4-nitrophenyl)-3-(p-tolylthio)propanamide 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 N-(4-nitrophenyl)-3-(p-tolylthio)propanamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-3-(p-tolylthio)propanamide 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 N-(4-nitrophenyl)-3-(p-tolylthio)propanamide?
The CAS number of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide is 895466-58-7.
What is the molecular formula of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide?
The molecular formula of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide is C16H16N2O3S.
What is the molecular weight of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide?
The molecular weight of N-(4-nitrophenyl)-3-(p-tolylthio)propanamide is 316.09 g/mol.
Where can I buy N-(4-nitrophenyl)-3-(p-tolylthio)propanamide?
You can request a quote for N-(4-nitrophenyl)-3-(p-tolylthio)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-nitrophenyl)-3-(p-tolylthio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrophenyl)-3-(p-tolylthio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.