Cyclohexane-1,4-diol dimethanesulfonate
TL;DR: Cyclohexane-1,4-diol dimethanesulfonate (CAS 39967-16-3) is a chemical compound with molecular formula C8H16O6S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfonyloxycyclohexyl) methanesulfonate
Also Known As: Cyclohexane-1,4-diol dimethanesulfonate, 1,4-Cyclohexanediol, dimethanesulfonate, 1,4-bis(methylsulfonyloxy)cyclohexane, cyclohexane-1,4-diyl dimethanesulfonate, (4-methylsulfonyloxycyclohexyl) methanesulfonate
| Molecular Formula | C8H16O6S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.03882 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 39967-16-3 |
|---|---|
| SMILES | CS(=O)(=O)OC1CCC(CC1)OS(=O)(=O)C |
| InChIKey | VOEWECZIRRCJID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane-1,4-diol dimethanesulfonate (CAS 39967-16-3), with molecular formula C8H16O6S2 and molecular weight 272.04 g/mol. IUPAC: (4-methylsulfonyloxycyclohexyl) methanesulfonate.
Chemical Property Profile of Cyclohexane-1,4-diol dimethanesulfonate
Property Insights of Cyclohexane-1,4-diol dimethanesulfonate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,4-diol dimethanesulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexane-1,4-diol dimethanesulfonate. Following Lipinski's Rule of Five, Cyclohexane-1,4-diol 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 Cyclohexane-1,4-diol dimethanesulfonate?
The CAS number of Cyclohexane-1,4-diol dimethanesulfonate is 39967-16-3.
What is the molecular formula of Cyclohexane-1,4-diol dimethanesulfonate?
The molecular formula of Cyclohexane-1,4-diol dimethanesulfonate is C8H16O6S2.
What is the molecular weight of Cyclohexane-1,4-diol dimethanesulfonate?
The molecular weight of Cyclohexane-1,4-diol dimethanesulfonate is 272.04 g/mol.
Where can I buy Cyclohexane-1,4-diol dimethanesulfonate?
You can request a quote for Cyclohexane-1,4-diol dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,4-diol dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,4-diol dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.