氯磺酸丙酯
TL;DR: 氯磺酸丙酯 (CAS 819-52-3) is a chemical compound with molecular formula C3H7ClO3S and molecular weight 157.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯磺酸丙酯
1-chlorosulfonyloxypropane
Also Known As: propyl sulfurochloridate, 1-chlorosulfonyloxypropane, Chlorosulfuric acid, propyl ester, Chlorosulfuric acid propyl ester, PROPYL CHLORANESULFONATE
| Molecular Formula | C3H7ClO3S |
|---|---|
| Molecular Weight | 157.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.98044 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 819-52-3 |
|---|---|
| SMILES | CCCOS(=O)(=O)Cl |
| InChIKey | BUSLFAYJGWMERD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯磺酸丙酯 (CAS 819-52-3), with molecular formula C3H7ClO3S and molecular weight 157.98 g/mol. IUPAC: 1-chlorosulfonyloxypropane.
Chemical Property Profile of 氯磺酸丙酯
Property Insights of 氯磺酸丙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯磺酸丙酯. With a topological polar surface area (TPSA) of 51.8 Ų, 氯磺酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯磺酸丙酯 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 氯磺酸丙酯?
The CAS number of 氯磺酸丙酯 is 819-52-3.
What is the molecular formula of 氯磺酸丙酯?
The molecular formula of 氯磺酸丙酯 is C3H7ClO3S.
What is the molecular weight of 氯磺酸丙酯?
The molecular weight of 氯磺酸丙酯 is 157.98 g/mol.
Where can I buy 氯磺酸丙酯?
You can request a quote for 氯磺酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯磺酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 氯磺酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.