Methyl 2-chloroacetoacetate
TL;DR: Methyl 2-chloroacetoacetate (CAS 4755-81-1) is a chemical compound with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-3-oxobutanoate
Also Known As: Methyl 2-chloroacetoacetate, Methyl 2-chloro-3-oxobutanoate, vitaminb1, methyl-2-chloroacetoacetate, 2-Aminobenzoesaure
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 4755-81-1 |
|---|---|
| SMILES | CC(=O)C(C(=O)OC)Cl |
| InChIKey | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chloroacetoacetate (CAS 4755-81-1), with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol. IUPAC: methyl 2-chloro-3-oxobutanoate.
Chemical Property Profile of Methyl 2-chloroacetoacetate
Property Insights of Methyl 2-chloroacetoacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloroacetoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-chloroacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloroacetoacetate 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 2-chloroacetoacetate?
The CAS number of Methyl 2-chloroacetoacetate is 4755-81-1.
What is the molecular formula of Methyl 2-chloroacetoacetate?
The molecular formula of Methyl 2-chloroacetoacetate is C5H7ClO3.
What is the molecular weight of Methyl 2-chloroacetoacetate?
The molecular weight of Methyl 2-chloroacetoacetate is 150.01 g/mol.
Where can I buy Methyl 2-chloroacetoacetate?
You can request a quote for Methyl 2-chloroacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloroacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloroacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.