二甲基戊烷-1,5-二磺酸酯
TL;DR: 二甲基戊烷-1,5-二磺酸酯 (CAS 67770-59-6) 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.
二甲基戊烷-1,5-二磺酸酯
dimethyl pentane-1,5-disulfonate
Also Known As: dimethyl pentane-1,5-disulfonate
| Molecular Formula | C7H16O6S2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 260.03882 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 67770-59-6 |
|---|---|
| SMILES | COS(=O)(=O)CCCCCS(=O)(=O)OC |
| InChIKey | HKHAFRSSLRAKAQ-UHFFFAOYSA-N |
Product Overview
二甲基戊烷-1,5-二磺酸酯 (CAS 67770-59-6), with molecular formula C7H16O6S2 and molecular weight 260.04 g/mol. IUPAC: dimethyl pentane-1,5-disulfonate.
Chemical Property Profile of 二甲基戊烷-1,5-二磺酸酯
Property Insights of 二甲基戊烷-1,5-二磺酸酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基戊烷-1,5-二磺酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二甲基戊烷-1,5-二磺酸酯. Following Lipinski's Rule of Five, 二甲基戊烷-1,5-二磺酸酯 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 二甲基戊烷-1,5-二磺酸酯?
The CAS number of 二甲基戊烷-1,5-二磺酸酯 is 67770-59-6.
What is the molecular formula of 二甲基戊烷-1,5-二磺酸酯?
The molecular formula of 二甲基戊烷-1,5-二磺酸酯 is C7H16O6S2.
What is the molecular weight of 二甲基戊烷-1,5-二磺酸酯?
The molecular weight of 二甲基戊烷-1,5-二磺酸酯 is 260.04 g/mol.
Where can I buy 二甲基戊烷-1,5-二磺酸酯?
You can request a quote for 二甲基戊烷-1,5-二磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基戊烷-1,5-二磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲基戊烷-1,5-二磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.