Dimethyl 1,2-benzenedisulfonate
TL;DR: Dimethyl 1,2-benzenedisulfonate (CAS 82975-59-5) 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.
dimethyl benzene-1,2-disulfonate
Also Known As: Dimethyl 1,2-benzenedisulfonate, dimethyl benzene-1,2-disulfonate, Dimethyl 1,2-benzenedisulfonate #, 1,2-Benzenedisulfonic acid, dimethyl ester, RefChem:338432
| Molecular Formula | C8H10O6S2 |
|---|---|
| Molecular Weight | 265.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.99188 |
| Heavy Atoms | 16 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 82975-59-5 |
|---|---|
| SMILES | COS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC |
| InChIKey | OUVUDMURERSZSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 1,2-benzenedisulfonate (CAS 82975-59-5), with molecular formula C8H10O6S2 and molecular weight 265.99 g/mol. IUPAC: dimethyl benzene-1,2-disulfonate.
Chemical Property Profile of Dimethyl 1,2-benzenedisulfonate
Property Insights of Dimethyl 1,2-benzenedisulfonate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,2-benzenedisulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,2-benzenedisulfonate. Following Lipinski's Rule of Five, Dimethyl 1,2-benzenedisulfonate 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 Dimethyl 1,2-benzenedisulfonate?
The CAS number of Dimethyl 1,2-benzenedisulfonate is 82975-59-5.
What is the molecular formula of Dimethyl 1,2-benzenedisulfonate?
The molecular formula of Dimethyl 1,2-benzenedisulfonate is C8H10O6S2.
What is the molecular weight of Dimethyl 1,2-benzenedisulfonate?
The molecular weight of Dimethyl 1,2-benzenedisulfonate is 265.99 g/mol.
Where can I buy Dimethyl 1,2-benzenedisulfonate?
You can request a quote for Dimethyl 1,2-benzenedisulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,2-benzenedisulfonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,2-benzenedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.