3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol
TL;DR: 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol (CAS 53760-95-5) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-5-methylbenzene-1,2-diol
Also Known As: 3-(benzenesulfonyl)-5-methylbenzene-1,2-diol, 2,3-Dihydroxy-5-methyl[sulfonylbisbenzene]
| Molecular Formula | C13H12O4S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.04562 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 53760-95-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)S(=O)(=O)C2=CC=CC=C2)O)O |
| InChIKey | JZVZYNSTKQDCHA-UHFFFAOYSA-N |
Product Overview
3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol (CAS 53760-95-5), with molecular formula C13H12O4S and molecular weight 264.05 g/mol. IUPAC: 3-(benzenesulfonyl)-5-methylbenzene-1,2-diol.
Chemical Property Profile of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol
Property Insights of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol. Following Lipinski's Rule of Five, 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol has 2 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 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol?
The CAS number of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol is 53760-95-5.
What is the molecular formula of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol?
The molecular formula of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol is C13H12O4S.
What is the molecular weight of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol?
The molecular weight of 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol is 264.05 g/mol.
Where can I buy 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol?
You can request a quote for 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzenesulfonyl)-5-methylbenzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.