![{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid structure](/static/products/883/883291-52-9.png)
{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
TL;DR: {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid (CAS 883291-52-9) is a chemical compound with molecular formula C15H13NO6S2 and molecular weight 367.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetic acid
Also Known As: ZERO/006194, {[3-(benzylsulfonyl)-5-nitrophenyl]thio}acetic acid, 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetic acid, 2-{5-nitro-3-[benzylsulfonyl]phenylthio}acetic acid, 2-((3-(Benzylsulfonyl)-5-nitrophenyl)thio)acetic acid
| Molecular Formula | C15H13NO6S2 |
|---|---|
| Molecular Weight | 367.02 g/mol |
| LogP | 2.7454 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.01843 |
| Heavy Atoms | 24 |
| Complexity | 864.78796 |
Chemical Identifiers
| CAS Number | 883291-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-] |
Product Overview
{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid (CAS 883291-52-9), with molecular formula C15H13NO6S2 and molecular weight 367.02 g/mol. IUPAC: 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetic acid.
Chemical Property Profile of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
Property Insights of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
The XLogP value of 2.7454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid. Following Lipinski's Rule of Five, {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid has 1 hydrogen bond donor(s) and 6 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 {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid?
The CAS number of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid is 883291-52-9.
What is the molecular formula of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid?
The molecular formula of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid is C15H13NO6S2.
What is the molecular weight of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid?
The molecular weight of {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid is 367.02 g/mol.
Where can I buy {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid?
You can request a quote for {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.