Carbonic acid, 1-chloroethyl ethyl ester
TL;DR: Carbonic acid, 1-chloroethyl ethyl ester (CAS 5454-77-3) is a chemical compound with molecular formula C5H9ClO3 and molecular weight 152.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroethyl ethyl carbonate
Also Known As: 1-Chloroethyl ethyl carbonate, 1-Chlorodiethyl Carbonate, Carbonic acid, 1-chloroethyl ethyl ester, 1-chloroethylethylcarbonate, 1-chloroethyl ethoxyformate
| Molecular Formula | C5H9ClO3 |
|---|---|
| Molecular Weight | 152.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.02402 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 5454-77-3 |
|---|---|
| SMILES | CCOC(=O)OC(C)Cl |
| InChIKey | YVRGKFXJZCTTRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, 1-chloroethyl ethyl ester (CAS 5454-77-3), with molecular formula C5H9ClO3 and molecular weight 152.02 g/mol. IUPAC: 1-chloroethyl ethyl carbonate.
Chemical Property Profile of Carbonic acid, 1-chloroethyl ethyl ester
Property Insights of Carbonic acid, 1-chloroethyl ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, 1-chloroethyl ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, 1-chloroethyl ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 1-chloroethyl ethyl ester 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 Carbonic acid, 1-chloroethyl ethyl ester?
The CAS number of Carbonic acid, 1-chloroethyl ethyl ester is 5454-77-3.
What is the molecular formula of Carbonic acid, 1-chloroethyl ethyl ester?
The molecular formula of Carbonic acid, 1-chloroethyl ethyl ester is C5H9ClO3.
What is the molecular weight of Carbonic acid, 1-chloroethyl ethyl ester?
The molecular weight of Carbonic acid, 1-chloroethyl ethyl ester is 152.02 g/mol.
Where can I buy Carbonic acid, 1-chloroethyl ethyl ester?
You can request a quote for Carbonic acid, 1-chloroethyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, 1-chloroethyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 1-chloroethyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.