乙草酰氯
TL;DR: 乙草酰氯 (CAS 4755-77-5) is a chemical compound with molecular formula C4H5ClO3 and molecular weight 135.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙草酰氯
ethyl 2-chloro-2-oxoacetate
Also Known As: Ethyl chlorooxoacetate, Ethyl oxalyl chloride, ethyl oxalyl monochloride, Ethoxalyl chloride, ETHYL CHLOROGLYOXYLATE
| Molecular Formula | C4H5ClO3 |
|---|---|
| Molecular Weight | 135.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.99272 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
| Vapor Pressure | 7.61 [mmHg] |
Chemical Identifiers
| CAS Number | 4755-77-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)Cl |
| InChIKey | OWZFULPEVHKEKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙草酰氯 (CAS 4755-77-5), with molecular formula C4H5ClO3 and molecular weight 135.99 g/mol. IUPAC: ethyl 2-chloro-2-oxoacetate.
Chemical Property Profile of 乙草酰氯
Property Insights of 乙草酰氯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙草酰氯. With a topological polar surface area (TPSA) of 43.4 Ų, 乙草酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙草酰氯 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 乙草酰氯?
The CAS number of 乙草酰氯 is 4755-77-5.
What is the molecular formula of 乙草酰氯?
The molecular formula of 乙草酰氯 is C4H5ClO3.
What is the molecular weight of 乙草酰氯?
The molecular weight of 乙草酰氯 is 135.99 g/mol.
Where can I buy 乙草酰氯?
You can request a quote for 乙草酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙草酰氯?
Yes, KEHONG BIO provides custom synthesis services for 乙草酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.