Ethyl 2-chloro-4-methyl-3-oxopentanoate
TL;DR: Ethyl 2-chloro-4-methyl-3-oxopentanoate (CAS 51461-14-4) is a chemical compound with molecular formula C8H13ClO3 and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-4-methyl-3-oxopentanoate
Also Known As: ethyl 2-chloro-4-methyl-3-oxopentanoate, ethyl 2-chloroisobutyrylacetate, ethyl2-chloro-4-methyl-3-oxopentanoate, Ethyl 2-chloro-4-methyl-3-oxo-pentanoate, J2.272.946B
| Molecular Formula | C8H13ClO3 |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 1.382 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.05533 |
| Heavy Atoms | 12 |
| Complexity | 177.14178 |
Chemical Identifiers
| CAS Number | 51461-14-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(C)C)Cl |
Product Overview
Ethyl 2-chloro-4-methyl-3-oxopentanoate (CAS 51461-14-4), with molecular formula C8H13ClO3 and molecular weight 192.06 g/mol. IUPAC: ethyl 2-chloro-4-methyl-3-oxopentanoate.
Chemical Property Profile of Ethyl 2-chloro-4-methyl-3-oxopentanoate
Property Insights of Ethyl 2-chloro-4-methyl-3-oxopentanoate
The XLogP value of 1.382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-4-methyl-3-oxopentanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-chloro-4-methyl-3-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-4-methyl-3-oxopentanoate 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 Ethyl 2-chloro-4-methyl-3-oxopentanoate?
The CAS number of Ethyl 2-chloro-4-methyl-3-oxopentanoate is 51461-14-4.
What is the molecular formula of Ethyl 2-chloro-4-methyl-3-oxopentanoate?
The molecular formula of Ethyl 2-chloro-4-methyl-3-oxopentanoate is C8H13ClO3.
What is the molecular weight of Ethyl 2-chloro-4-methyl-3-oxopentanoate?
The molecular weight of Ethyl 2-chloro-4-methyl-3-oxopentanoate is 192.06 g/mol.
Where can I buy Ethyl 2-chloro-4-methyl-3-oxopentanoate?
You can request a quote for Ethyl 2-chloro-4-methyl-3-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-4-methyl-3-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-4-methyl-3-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.