庚基硫酸氢酯
TL;DR: 庚基硫酸氢酯 (CAS 18981-98-1) is a chemical compound with molecular formula C7H16O4S and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚基硫酸氢酯
heptyl hydrogen sulfate
Also Known As: heptyl hydrogen sulfate, 1-sulfooxyheptane, Heptylschwefelsaeure, (heptyloxy)sulfonic acid, Sulfuric acid, monoheptyl ester
| Molecular Formula | C7H16O4S |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.07693 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 18981-98-1 |
|---|---|
| SMILES | CCCCCCCOS(=O)(=O)O |
| InChIKey | MIHVYISIUZTFER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚基硫酸氢酯 (CAS 18981-98-1), with molecular formula C7H16O4S and molecular weight 196.08 g/mol. IUPAC: heptyl hydrogen sulfate.
Chemical Property Profile of 庚基硫酸氢酯
Property Insights of 庚基硫酸氢酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 庚基硫酸氢酯. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 庚基硫酸氢酯. Following Lipinski's Rule of Five, 庚基硫酸氢酯 has 1 hydrogen bond donor(s) and 4 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 庚基硫酸氢酯?
The CAS number of 庚基硫酸氢酯 is 18981-98-1.
What is the molecular formula of 庚基硫酸氢酯?
The molecular formula of 庚基硫酸氢酯 is C7H16O4S.
What is the molecular weight of 庚基硫酸氢酯?
The molecular weight of 庚基硫酸氢酯 is 196.08 g/mol.
Where can I buy 庚基硫酸氢酯?
You can request a quote for 庚基硫酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚基硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 庚基硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.