1,4-Pentanediol, 1,4-dimethanesulfonate
TL;DR: 1,4-Pentanediol, 1,4-dimethanesulfonate (CAS 433304-54-2) is a chemical compound with molecular formula C7H16O6S2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyloxypentyl methanesulfonate
Also Known As: Pentane-1,4-diyl dimethanesulfonate, 1,4-Pentanediol, 1,4-dimethanesulfonate, 4-methylsulfonyloxypentyl methanesulfonate
| Molecular Formula | C7H16O6S2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.03882 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 433304-54-2 |
|---|---|
| SMILES | CC(CCCOS(=O)(=O)C)OS(=O)(=O)C |
| InChIKey | DKQZQGWTQMDNHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Pentanediol, 1,4-dimethanesulfonate (CAS 433304-54-2), with molecular formula C7H16O6S2 and molecular weight 260.04 g/mol. IUPAC: 4-methylsulfonyloxypentyl methanesulfonate.
Chemical Property Profile of 1,4-Pentanediol, 1,4-dimethanesulfonate
Property Insights of 1,4-Pentanediol, 1,4-dimethanesulfonate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Pentanediol, 1,4-dimethanesulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Pentanediol, 1,4-dimethanesulfonate. Following Lipinski's Rule of Five, 1,4-Pentanediol, 1,4-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 1,4-Pentanediol, 1,4-dimethanesulfonate?
The CAS number of 1,4-Pentanediol, 1,4-dimethanesulfonate is 433304-54-2.
What is the molecular formula of 1,4-Pentanediol, 1,4-dimethanesulfonate?
The molecular formula of 1,4-Pentanediol, 1,4-dimethanesulfonate is C7H16O6S2.
What is the molecular weight of 1,4-Pentanediol, 1,4-dimethanesulfonate?
The molecular weight of 1,4-Pentanediol, 1,4-dimethanesulfonate is 260.04 g/mol.
Where can I buy 1,4-Pentanediol, 1,4-dimethanesulfonate?
You can request a quote for 1,4-Pentanediol, 1,4-dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pentanediol, 1,4-dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pentanediol, 1,4-dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.