Diphenyl methanedisulfonate
TL;DR: Diphenyl methanedisulfonate (CAS 2997-54-8) is a chemical compound with molecular formula C13H12O6S2 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl methanedisulfonate
Also Known As: diphenyl methanedisulfonate, diphenyl methane disulfonate, methanedisulfonic acid diphenyl ester, Methanedisulfonic acid, diphenyl ester, Methanedisulfonic acid,1,1-diphenyl ester
| Molecular Formula | C13H12O6S2 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.00754 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 2997-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)CS(=O)(=O)OC2=CC=CC=C2 |
| InChIKey | DZQWMSZBTJGXBY-UHFFFAOYSA-N |
Product Overview
Diphenyl methanedisulfonate (CAS 2997-54-8), with molecular formula C13H12O6S2 and molecular weight 328.01 g/mol. IUPAC: diphenyl methanedisulfonate.
Chemical Property Profile of Diphenyl methanedisulfonate
Property Insights of Diphenyl methanedisulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenyl methanedisulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenyl methanedisulfonate. Following Lipinski's Rule of Five, Diphenyl methanedisulfonate 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 Diphenyl methanedisulfonate?
The CAS number of Diphenyl methanedisulfonate is 2997-54-8.
What is the molecular formula of Diphenyl methanedisulfonate?
The molecular formula of Diphenyl methanedisulfonate is C13H12O6S2.
What is the molecular weight of Diphenyl methanedisulfonate?
The molecular weight of Diphenyl methanedisulfonate is 328.01 g/mol.
Where can I buy Diphenyl methanedisulfonate?
You can request a quote for Diphenyl methanedisulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl methanedisulfonate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl methanedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.