1,3-Benzenediol, 1,3-dimethanesulfonate
TL;DR: 1,3-Benzenediol, 1,3-dimethanesulfonate (CAS 59722-31-5) is a chemical compound with molecular formula C8H10O6S2 and molecular weight 265.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylsulfonyloxyphenyl) methanesulfonate
Also Known As: 1,3-Phenylene dimethanesulfonate, 1,3-Benzenediol di(methanesulfonate), 1,3-bis(methylsulfonyloxy)benzene, 1,3-Benzenediol, 1,3-dimethanesulfonate, 1,3-Benzenediol, dimethanesulfonate
| Molecular Formula | C8H10O6S2 |
|---|---|
| Molecular Weight | 265.99 g/mol |
| LogP | 0.3634 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.99188 |
| Heavy Atoms | 16 |
| Complexity | 523.051 |
Chemical Identifiers
| CAS Number | 59722-31-5 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC(=CC=C1)OS(=O)(=O)C |
Product Overview
1,3-Benzenediol, 1,3-dimethanesulfonate (CAS 59722-31-5), with molecular formula C8H10O6S2 and molecular weight 265.99 g/mol. IUPAC: (3-methylsulfonyloxyphenyl) methanesulfonate.
Chemical Property Profile of 1,3-Benzenediol, 1,3-dimethanesulfonate
Property Insights of 1,3-Benzenediol, 1,3-dimethanesulfonate
The XLogP value of 0.3634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, 1,3-dimethanesulfonate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 1,3-dimethanesulfonate. Following Lipinski's Rule of Five, 1,3-Benzenediol, 1,3-dimethanesulfonate has 0 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 1,3-Benzenediol, 1,3-dimethanesulfonate?
The CAS number of 1,3-Benzenediol, 1,3-dimethanesulfonate is 59722-31-5.
What is the molecular formula of 1,3-Benzenediol, 1,3-dimethanesulfonate?
The molecular formula of 1,3-Benzenediol, 1,3-dimethanesulfonate is C8H10O6S2.
What is the molecular weight of 1,3-Benzenediol, 1,3-dimethanesulfonate?
The molecular weight of 1,3-Benzenediol, 1,3-dimethanesulfonate is 265.99 g/mol.
Where can I buy 1,3-Benzenediol, 1,3-dimethanesulfonate?
You can request a quote for 1,3-Benzenediol, 1,3-dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 1,3-dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 1,3-dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.