1-丙磺酸丙酯
TL;DR: 1-丙磺酸丙酯 (CAS 64398-09-0) is a chemical compound with molecular formula C6H14O3S and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-丙磺酸丙酯
propyl propane-1-sulfonate
Also Known As: propyl propane-1-sulfonate, Propyl 1-propanesulfonate, 1-Propanesulfonic acid, propyl ester, propanesulfonic acid propyl ester, propane-1-sulfonic acid propyl ester
| Molecular Formula | C6H14O3S |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.06636 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 64398-09-0 |
|---|---|
| SMILES | CCCOS(=O)(=O)CCC |
| InChIKey | CDKWOAFNXLYODN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-丙磺酸丙酯 (CAS 64398-09-0), with molecular formula C6H14O3S and molecular weight 166.07 g/mol. IUPAC: propyl propane-1-sulfonate.
Chemical Property Profile of 1-丙磺酸丙酯
Property Insights of 1-丙磺酸丙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-丙磺酸丙酯. With a topological polar surface area (TPSA) of 51.8 Ų, 1-丙磺酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-丙磺酸丙酯 has 0 hydrogen bond donor(s) and 3 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-丙磺酸丙酯?
The CAS number of 1-丙磺酸丙酯 is 64398-09-0.
What is the molecular formula of 1-丙磺酸丙酯?
The molecular formula of 1-丙磺酸丙酯 is C6H14O3S.
What is the molecular weight of 1-丙磺酸丙酯?
The molecular weight of 1-丙磺酸丙酯 is 166.07 g/mol.
Where can I buy 1-丙磺酸丙酯?
You can request a quote for 1-丙磺酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-丙磺酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-丙磺酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.