氯磺酸(2-氯乙基)酯
TL;DR: 氯磺酸(2-氯乙基)酯 (CAS 13891-58-2) is a chemical compound with molecular formula C2H4Cl2O3S and molecular weight 177.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯磺酸(2-氯乙基)酯
1-chloro-2-chlorosulfonyloxyethane
Also Known As: 2-chloroethyl sulfurochloridate, 2-chloroethyl chlorosulfonate, Chlorosulfuric acid, (2-chloroethyl) ester, Chlorosulfonic acid, (2-chloroethyl) ester, 2-Chlorethylester kyseliny chlorsulfonove
| Molecular Formula | C2H4Cl2O3S |
|---|---|
| Molecular Weight | 177.93 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.92583 |
| Heavy Atoms | 8 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 13891-58-2 |
|---|---|
| SMILES | C(CCl)OS(=O)(=O)Cl |
| InChIKey | BVCMZXFSEVIRGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯磺酸(2-氯乙基)酯 (CAS 13891-58-2), with molecular formula C2H4Cl2O3S and molecular weight 177.93 g/mol. IUPAC: 1-chloro-2-chlorosulfonyloxyethane.
Chemical Property Profile of 氯磺酸(2-氯乙基)酯
Property Insights of 氯磺酸(2-氯乙基)酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯磺酸(2-氯乙基)酯. With a topological polar surface area (TPSA) of 51.8 Ų, 氯磺酸(2-氯乙基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯磺酸(2-氯乙基)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(2-氯乙基)酯?
The CAS number of 氯磺酸(2-氯乙基)酯 is 13891-58-2.
What is the molecular formula of 氯磺酸(2-氯乙基)酯?
The molecular formula of 氯磺酸(2-氯乙基)酯 is C2H4Cl2O3S.
What is the molecular weight of 氯磺酸(2-氯乙基)酯?
The molecular weight of 氯磺酸(2-氯乙基)酯 is 177.93 g/mol.
Where can I buy 氯磺酸(2-氯乙基)酯?
You can request a quote for 氯磺酸(2-氯乙基)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(2-氯乙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 氯磺酸(2-氯乙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.