异丙基硫酸氢酯
TL;DR: 异丙基硫酸氢酯 (CAS 6914-90-5) is a chemical compound with molecular formula C3H8O4S and molecular weight 140.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙基硫酸氢酯
propan-2-yl hydrogen sulfate
Also Known As: Isopropyl hydrogen sulphate, isopropylsulfate, isopropyl sulfuric acid, Monoisopropyl sulfate, propan-2-yl hydrogen sulfate
| Molecular Formula | C3H8O4S |
|---|---|
| Molecular Weight | 140.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.01433 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 6914-90-5 |
|---|---|
| SMILES | CC(C)OS(=O)(=O)O |
| InChIKey | IVNFTPCOZIGNAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙基硫酸氢酯 (CAS 6914-90-5), with molecular formula C3H8O4S and molecular weight 140.01 g/mol. IUPAC: propan-2-yl hydrogen sulfate.
Chemical Property Profile of 异丙基硫酸氢酯
Property Insights of 异丙基硫酸氢酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙基硫酸氢酯. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异丙基硫酸氢酯. Following Lipinski's Rule of Five, 异丙基硫酸氢酯 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 异丙基硫酸氢酯?
The CAS number of 异丙基硫酸氢酯 is 6914-90-5.
What is the molecular formula of 异丙基硫酸氢酯?
The molecular formula of 异丙基硫酸氢酯 is C3H8O4S.
What is the molecular weight of 异丙基硫酸氢酯?
The molecular weight of 异丙基硫酸氢酯 is 140.01 g/mol.
Where can I buy 异丙基硫酸氢酯?
You can request a quote for 异丙基硫酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.