![3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid structure](/static/products/939/93945-52-9.png)
3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid
TL;DR: 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid (CAS 93945-52-9) is a chemical compound with molecular formula C15H14O6S and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2-(4-methylphenyl)sulfonyloxybenzoic acid
Also Known As: 3-methoxy-2-(4-methylphenyl)sulfonyloxybenzoic acid, 3-METHOXY-2-[(4-METHYLBENZENESULFONYL)OXY]BENZOIC ACID, 3-Methoxy-2-[(4-methylbenzene-1-sulfonyl)oxy]benzoic acid, Benzoic acid,3-methoxy-2-[[(4-methylphenyl)sulfonyl]oxy]-
| Molecular Formula | C15H14O6S |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.05112 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 93945-52-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C(=O)O |
| InChIKey | LOBKQKRRQFFDKX-UHFFFAOYSA-N |
Product Overview
3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid (CAS 93945-52-9), with molecular formula C15H14O6S and molecular weight 322.05 g/mol. IUPAC: 3-methoxy-2-(4-methylphenyl)sulfonyloxybenzoic acid.
Chemical Property Profile of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid
Property Insights of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid. Following Lipinski's Rule of Five, 3-Methoxy-2-[(4-methylbenzenesulfonyl)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-[(4-methylbenzenesulfonyl)oxy]benzoic acid?
The CAS number of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid is 93945-52-9.
What is the molecular formula of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid?
The molecular formula of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid is C15H14O6S.
What is the molecular weight of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid?
The molecular weight of 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid is 322.05 g/mol.
Where can I buy 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid?
You can request a quote for 3-Methoxy-2-[(4-methylbenzenesulfonyl)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-[(4-methylbenzenesulfonyl)oxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-2-[(4-methylbenzenesulfonyl)oxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.