N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide
TL;DR: N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide (CAS 32496-94-9) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide
Also Known As: N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide, N-[2-amino-2-oxo-1-(phenylsulfanyl)ethyl]-4-nitrobenzamide, BENZAMIDE,N-[2-AMINO-2-OXO-1-(PHENYLTHIO)ETHYL]-4-NITRO-
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 32496-94-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JYLIIVBZNUOAHW-UHFFFAOYSA-N |
Product Overview
N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide (CAS 32496-94-9), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide.
Chemical Property Profile of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide
Property Insights of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide. The TPSA of 143.0 Ų indicates high polarity, suggesting N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide has 2 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-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide?
The CAS number of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide is 32496-94-9.
What is the molecular formula of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide?
The molecular formula of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide is C15H13N3O4S.
What is the molecular weight of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide?
The molecular weight of N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide is 331.06 g/mol.
Where can I buy N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide?
You can request a quote for N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.