1,7-庚二醇二甲磺酸酯
TL;DR: 1,7-庚二醇二甲磺酸酯 (CAS 30412-10-3) is a chemical compound with molecular formula C9H20O6S2 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-庚二醇二甲磺酸酯
7-methylsulfonyloxyheptyl methanesulfonate
Also Known As: Heptane dimethanesulphonate, 1,7-Heptanediol, dimethanesulfonate, heptane-1,7-diyl dimethanesulfonate, 7-methylsulfonyloxyheptyl methanesulfonate, J1.445.412H
| Molecular Formula | C9H20O6S2 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 288.07013 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 30412-10-3 |
|---|---|
| SMILES | CS(=O)(=O)OCCCCCCCOS(=O)(=O)C |
| InChIKey | UMQMIJCGXPPDCZ-UHFFFAOYSA-N |
Product Overview
1,7-庚二醇二甲磺酸酯 (CAS 30412-10-3), with molecular formula C9H20O6S2 and molecular weight 288.07 g/mol. IUPAC: 7-methylsulfonyloxyheptyl methanesulfonate.
Chemical Property Profile of 1,7-庚二醇二甲磺酸酯
Property Insights of 1,7-庚二醇二甲磺酸酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-庚二醇二甲磺酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-庚二醇二甲磺酸酯. Following Lipinski's Rule of Five, 1,7-庚二醇二甲磺酸酯 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 1,7-庚二醇二甲磺酸酯?
The CAS number of 1,7-庚二醇二甲磺酸酯 is 30412-10-3.
What is the molecular formula of 1,7-庚二醇二甲磺酸酯?
The molecular formula of 1,7-庚二醇二甲磺酸酯 is C9H20O6S2.
What is the molecular weight of 1,7-庚二醇二甲磺酸酯?
The molecular weight of 1,7-庚二醇二甲磺酸酯 is 288.07 g/mol.
Where can I buy 1,7-庚二醇二甲磺酸酯?
You can request a quote for 1,7-庚二醇二甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-庚二醇二甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,7-庚二醇二甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.