2-辛基硫酸酯
TL;DR: 2-辛基硫酸酯 (CAS 7305-59-1) is a chemical compound with molecular formula C8H18NaO4S+ and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-辛基硫酸酯
sodium octan-2-yl hydrogen sulfate
Also Known As: Octan-2-sulfate, Octyl-2-sulfate, Potassium octan-2-sulfate, 2-Octanol, hydrogen sulfate, sodium salt, sodium;octan-2-yl hydrogen sulfate
| Molecular Formula | C8H18NaO4S+ |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | -0.8313 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 233.08235 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 7305-59-1 |
|---|---|
| SMILES | CCCCCCC(C)OS(=O)(=O)O.[Na+] |
| InChIKey | XYDHYQBWZXNZDP-UHFFFAOYSA-N |
Product Overview
2-辛基硫酸酯 (CAS 7305-59-1), with molecular formula C8H18NaO4S+ and molecular weight 233.08 g/mol. IUPAC: sodium octan-2-yl hydrogen sulfate.
Chemical Property Profile of 2-辛基硫酸酯
Property Insights of 2-辛基硫酸酯
The XLogP value of -0.8313 indicates that 2-辛基硫酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-辛基硫酸酯. Following Lipinski's Rule of Five, 2-辛基硫酸酯 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 2-辛基硫酸酯?
The CAS number of 2-辛基硫酸酯 is 7305-59-1.
What is the molecular formula of 2-辛基硫酸酯?
The molecular formula of 2-辛基硫酸酯 is C8H18NaO4S+.
What is the molecular weight of 2-辛基硫酸酯?
The molecular weight of 2-辛基硫酸酯 is 233.08 g/mol.
Where can I buy 2-辛基硫酸酯?
You can request a quote for 2-辛基硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛基硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-辛基硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.