Allyl chlorooxoacetate
TL;DR: Allyl chlorooxoacetate (CAS 74503-07-4) is a chemical compound with molecular formula C5H5ClO3 and molecular weight 147.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-chloro-2-oxoacetate
Also Known As: Allyl chlorooxoacetate, allyl 2-chloro-2-oxoacetate, allyl oxalyl chloride, allyl oxalochloride, allyl chloroglyoxylate
| Molecular Formula | C5H5ClO3 |
|---|---|
| Molecular Weight | 147.99 g/mol |
| LogP | 0.481 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.99272 |
| Heavy Atoms | 9 |
| Complexity | 141.13853 |
Chemical Identifiers
| CAS Number | 74503-07-4 |
|---|---|
| SMILES | C=CCOC(=O)C(=O)Cl |
Product Overview
Allyl chlorooxoacetate (CAS 74503-07-4), with molecular formula C5H5ClO3 and molecular weight 147.99 g/mol. IUPAC: prop-2-enyl 2-chloro-2-oxoacetate.
Chemical Property Profile of Allyl chlorooxoacetate
Property Insights of Allyl chlorooxoacetate
The XLogP value of 0.481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl chlorooxoacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Allyl chlorooxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl chlorooxoacetate 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 Allyl chlorooxoacetate?
The CAS number of Allyl chlorooxoacetate is 74503-07-4.
What is the molecular formula of Allyl chlorooxoacetate?
The molecular formula of Allyl chlorooxoacetate is C5H5ClO3.
What is the molecular weight of Allyl chlorooxoacetate?
The molecular weight of Allyl chlorooxoacetate is 147.99 g/mol.
Where can I buy Allyl chlorooxoacetate?
You can request a quote for Allyl chlorooxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl chlorooxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl chlorooxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.