![3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid structure](/static/products/196/196601-61-3.png)
3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid
TL;DR: 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid (CAS 196601-61-3) is a chemical compound with molecular formula C14H12O6S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyloxy)-3-methoxybenzoic acid
Also Known As: 3-methoxy-2-[(phenylsulfonyl)oxy]benzoic acid, 2-benzenesulfonyloxy-3-methoxy-benzoic acid, 2-(benzenesulfonyloxy)-3-methoxybenzoic acid
| Molecular Formula | C14H12O6S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.03546 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 196601-61-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | OCZHJNBVCJVGSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid (CAS 196601-61-3), with molecular formula C14H12O6S and molecular weight 308.04 g/mol. IUPAC: 2-(benzenesulfonyloxy)-3-methoxybenzoic acid.
Chemical Property Profile of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid
Property Insights of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid. Following Lipinski's Rule of Five, 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic 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-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid?
The CAS number of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid is 196601-61-3.
What is the molecular formula of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid?
The molecular formula of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid is C14H12O6S.
What is the molecular weight of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid?
The molecular weight of 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid is 308.04 g/mol.
Where can I buy 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid?
You can request a quote for 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-2-[(phenylsulfonyl)oxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.