2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid
TL;DR: 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid (CAS 55405-41-9) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-((2-(4-nitrophenyl)-2-oxoethyl)thio)benzoic acid, o-[(p-nitrobenzoyl)methylthio]benzoic acid, 2-[2-(4-Nitro-phenyl)-2-oxo-ethylsulfanyl]-benzoic acid, 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid, 2-[2-(4-nitrophenyl)-2-oxoethylthio]benzoic acid
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 3.268 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 726.9676 |
Chemical Identifiers
| CAS Number | 55405-41-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid (CAS 55405-41-9), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid
Property Insights of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid
The XLogP value of 3.268 indicates that 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid 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 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid?
The CAS number of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid is 55405-41-9.
What is the molecular formula of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid?
The molecular formula of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid is C15H11NO5S.
What is the molecular weight of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid?
The molecular weight of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid is 317.04 g/mol.
Where can I buy 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid?
You can request a quote for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.