Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester
TL;DR: Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester (CAS 6941-69-1) is a chemical compound with molecular formula C6H8Cl2O4 and molecular weight 213.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroacetyl)oxyethyl 2-chloroacetate
Also Known As: 1,2-Bis(chloroacetoxy)ethane, Ethylene bis(chloroacetate), ETHYLENEGLYCOLBIS, ETHYLENEGLYCOLBIS(MONOCHLOROACETATE), Ethylene Glycol Bis(monochloroacetate)
| Molecular Formula | C6H8Cl2O4 |
|---|---|
| Molecular Weight | 213.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 213.97997 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 6941-69-1 |
|---|---|
| SMILES | C(COC(=O)CCl)OC(=O)CCl |
| InChIKey | HIIBHBNRMVLLKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester (CAS 6941-69-1), with molecular formula C6H8Cl2O4 and molecular weight 213.98 g/mol. IUPAC: 2-(2-chloroacetyl)oxyethyl 2-chloroacetate.
Chemical Property Profile of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester
Property Insights of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester 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 Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester?
The CAS number of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester is 6941-69-1.
What is the molecular formula of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester?
The molecular formula of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester is C6H8Cl2O4.
What is the molecular weight of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester?
The molecular weight of Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester is 213.98 g/mol.
Where can I buy Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester?
You can request a quote for Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.