(4-Methoxy-benzenesulfonyl)-acetic acid
TL;DR: (4-Methoxy-benzenesulfonyl)-acetic acid (CAS 3937-99-3) is a chemical compound with molecular formula C9H10O5S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfonylacetic acid
Also Known As: (4-Methoxy-benzenesulfonyl)-acetic acid, 2-((4-methoxyphenyl)sulfonyl)acetic acid, 2-(4-methoxybenzenesulfonyl)acetic acid, 2-(4-methoxyphenyl)sulfonylacetic acid, (S)-ISOPROPYLOXIRANE
| Molecular Formula | C9H10O5S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 0.5535 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.02489 |
| Heavy Atoms | 15 |
| Complexity | 445.89597 |
Chemical Identifiers
| CAS Number | 3937-99-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
Product Overview
(4-Methoxy-benzenesulfonyl)-acetic acid (CAS 3937-99-3), with molecular formula C9H10O5S and molecular weight 230.02 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfonylacetic acid.
Chemical Property Profile of (4-Methoxy-benzenesulfonyl)-acetic acid
Property Insights of (4-Methoxy-benzenesulfonyl)-acetic acid
The XLogP value of 0.5535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxy-benzenesulfonyl)-acetic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methoxy-benzenesulfonyl)-acetic acid. Following Lipinski's Rule of Five, (4-Methoxy-benzenesulfonyl)-acetic acid has 1 hydrogen bond donor(s) and 4 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 (4-Methoxy-benzenesulfonyl)-acetic acid?
The CAS number of (4-Methoxy-benzenesulfonyl)-acetic acid is 3937-99-3.
What is the molecular formula of (4-Methoxy-benzenesulfonyl)-acetic acid?
The molecular formula of (4-Methoxy-benzenesulfonyl)-acetic acid is C9H10O5S.
What is the molecular weight of (4-Methoxy-benzenesulfonyl)-acetic acid?
The molecular weight of (4-Methoxy-benzenesulfonyl)-acetic acid is 230.02 g/mol.
Where can I buy (4-Methoxy-benzenesulfonyl)-acetic acid?
You can request a quote for (4-Methoxy-benzenesulfonyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxy-benzenesulfonyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxy-benzenesulfonyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.