Methyl chloroglyoxylate
TL;DR: Methyl chloroglyoxylate (CAS 5781-53-3) is a chemical compound with molecular formula C3H3ClO3 and molecular weight 121.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2-oxoacetate
Also Known As: Methyl chlorooxoacetate, Methyl chloroglyoxylate, Methyl oxalyl chloride, methyl 2-chloro-2-oxoacetate, methoxalyl chloride
| Molecular Formula | C3H3ClO3 |
|---|---|
| Molecular Weight | 121.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.97707 |
| Heavy Atoms | 7 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 5781-53-3 |
|---|---|
| SMILES | COC(=O)C(=O)Cl |
| InChIKey | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chloroglyoxylate (CAS 5781-53-3), with molecular formula C3H3ClO3 and molecular weight 121.98 g/mol. IUPAC: methyl 2-chloro-2-oxoacetate.
Chemical Property Profile of Methyl chloroglyoxylate
Property Insights of Methyl chloroglyoxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chloroglyoxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl chloroglyoxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl chloroglyoxylate 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 Methyl chloroglyoxylate?
The CAS number of Methyl chloroglyoxylate is 5781-53-3.
What is the molecular formula of Methyl chloroglyoxylate?
The molecular formula of Methyl chloroglyoxylate is C3H3ClO3.
What is the molecular weight of Methyl chloroglyoxylate?
The molecular weight of Methyl chloroglyoxylate is 121.98 g/mol.
Where can I buy Methyl chloroglyoxylate?
You can request a quote for Methyl chloroglyoxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chloroglyoxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chloroglyoxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.