N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide
TL;DR: N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide (CAS 643000-47-9) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-5-nitrophenyl)-3-(4-methylphenyl)sulfanylpropanamide
Also Known As: CBKinase1_004663, CBKinase1_017063, N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide, N-(2-methoxy-5-nitrophenyl)-3-[(4-methylphenyl)sulfanyl]propanamide, BRD-K00373611-001-01-5
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 4.03272 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 731.8704 |
Chemical Identifiers
| CAS Number | 643000-47-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC |
Product Overview
N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide (CAS 643000-47-9), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: N-(2-methoxy-5-nitrophenyl)-3-(4-methylphenyl)sulfanylpropanamide.
Chemical Property Profile of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide
Property Insights of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide
The XLogP value of 4.03272 indicates that N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide. Following Lipinski's Rule of Five, N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide has 1 hydrogen bond donor(s) and 5 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-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide?
The CAS number of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide is 643000-47-9.
What is the molecular formula of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide?
The molecular formula of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide is C17H18N2O4S.
What is the molecular weight of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide?
The molecular weight of N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide is 346.10 g/mol.
Where can I buy N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide?
You can request a quote for N-(2-methoxy-5-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-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxy-5-nitrophenyl)-3-(p-tolylthio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.