2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid
TL;DR: 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid (CAS 99358-36-8) is a chemical compound with molecular formula C9H9NO6S2 and molecular weight 290.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetic acid
Also Known As: 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetic acid, {[4-(METHYLSULFONYL)-2-NITROPHENYL]THIO}ACETIC ACID, 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetic acid, W-9925, AB00673638-01
| Molecular Formula | C9H9NO6S2 |
|---|---|
| Molecular Weight | 290.99 g/mol |
| LogP | 1.175 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.98712 |
| Heavy Atoms | 18 |
| Complexity | 595.07544 |
Chemical Identifiers
| CAS Number | 99358-36-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)O)[N+](=O)[O-] |
Product Overview
2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid (CAS 99358-36-8), with molecular formula C9H9NO6S2 and molecular weight 290.99 g/mol. IUPAC: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid
Property Insights of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid
The XLogP value of 1.175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4-(Methylsulfonyl)-2-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 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid?
The CAS number of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid is 99358-36-8.
What is the molecular formula of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid?
The molecular formula of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid is C9H9NO6S2.
What is the molecular weight of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid?
The molecular weight of 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid is 290.99 g/mol.
Where can I buy 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid?
You can request a quote for 2-((4-(Methylsulfonyl)-2-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 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Methylsulfonyl)-2-nitrophenyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.