2-氯乙醇硫酸酯
TL;DR: 2-氯乙醇硫酸酯 (CAS 5411-48-3) is a chemical compound with molecular formula C4H8Cl2O4S and molecular weight 221.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯乙醇硫酸酯
bis(2-chloroethyl) sulfate
Also Known As: Bis(2-chloroethyl) sulfate, Bis(chloroethyl) sulfate, Bis(2-chloroethyl) sulphate, Bis(chloroethyl) sulphate, Ethanol, sulfate (2:1)
| Molecular Formula | C4H8Cl2O4S |
|---|---|
| Molecular Weight | 221.95 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.95204 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5411-48-3 |
|---|---|
| SMILES | C(CCl)OS(=O)(=O)OCCCl |
| InChIKey | IFSGLNRHVHNLRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯乙醇硫酸酯 (CAS 5411-48-3), with molecular formula C4H8Cl2O4S and molecular weight 221.95 g/mol. IUPAC: bis(2-chloroethyl) sulfate.
Chemical Property Profile of 2-氯乙醇硫酸酯
Property Insights of 2-氯乙醇硫酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯乙醇硫酸酯. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯乙醇硫酸酯. Following Lipinski's Rule of Five, 2-氯乙醇硫酸酯 has 0 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-氯乙醇硫酸酯?
The CAS number of 2-氯乙醇硫酸酯 is 5411-48-3.
What is the molecular formula of 2-氯乙醇硫酸酯?
The molecular formula of 2-氯乙醇硫酸酯 is C4H8Cl2O4S.
What is the molecular weight of 2-氯乙醇硫酸酯?
The molecular weight of 2-氯乙醇硫酸酯 is 221.95 g/mol.
Where can I buy 2-氯乙醇硫酸酯?
You can request a quote for 2-氯乙醇硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯乙醇硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯乙醇硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.