2-Chloroethyl chloroacetate
TL;DR: 2-Chloroethyl chloroacetate (CAS 3848-12-2) is a chemical compound with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-chloroacetate
Also Known As: 2-chloroethyl chloroacetate, 2-chloroethyl 2-chloroacetate, Chloroacetic acid 2-chloroethyl ester, Acetic acid, chloro-, 2-chloroethyl ester, chloro-acetic acid 2-chloro-ethyl ester
| Molecular Formula | C4H6Cl2O2 |
|---|---|
| Molecular Weight | 155.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 155.97449 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 3848-12-2 |
|---|---|
| SMILES | C(CCl)OC(=O)CCl |
| InChIKey | XPUCYTFPMSEFIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl chloroacetate (CAS 3848-12-2), with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol. IUPAC: 2-chloroethyl 2-chloroacetate.
Chemical Property Profile of 2-Chloroethyl chloroacetate
Property Insights of 2-Chloroethyl chloroacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl chloroacetate has 0 hydrogen bond donor(s) and 2 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-Chloroethyl chloroacetate?
The CAS number of 2-Chloroethyl chloroacetate is 3848-12-2.
What is the molecular formula of 2-Chloroethyl chloroacetate?
The molecular formula of 2-Chloroethyl chloroacetate is C4H6Cl2O2.
What is the molecular weight of 2-Chloroethyl chloroacetate?
The molecular weight of 2-Chloroethyl chloroacetate is 155.97 g/mol.
Where can I buy 2-Chloroethyl chloroacetate?
You can request a quote for 2-Chloroethyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.