Methyl 2-acetyl-4-oxovalerate
TL;DR: Methyl 2-acetyl-4-oxovalerate (CAS 85392-47-8) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyl-4-oxopentanoate
Also Known As: methyl 2-acetyl-4-oxopentanoate, Methyl 2-acetyl-4-oxovalerate, methyl2-acetyl-4-oxovalerate, EINECS 286-906-9, methyl2-acetyl-4-oxopentanoate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.3437 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 207.1034 |
Chemical Identifiers
| CAS Number | 85392-47-8 |
|---|---|
| SMILES | CC(=O)CC(C(=O)C)C(=O)OC |
Product Overview
Methyl 2-acetyl-4-oxovalerate (CAS 85392-47-8), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: methyl 2-acetyl-4-oxopentanoate.
Chemical Property Profile of Methyl 2-acetyl-4-oxovalerate
Property Insights of Methyl 2-acetyl-4-oxovalerate
The XLogP value of 0.3437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetyl-4-oxovalerate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetyl-4-oxovalerate. Following Lipinski's Rule of Five, Methyl 2-acetyl-4-oxovalerate has 0 hydrogen bond donor(s) and 4 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-acetyl-4-oxovalerate?
The CAS number of Methyl 2-acetyl-4-oxovalerate is 85392-47-8.
What is the molecular formula of Methyl 2-acetyl-4-oxovalerate?
The molecular formula of Methyl 2-acetyl-4-oxovalerate is C8H12O4.
What is the molecular weight of Methyl 2-acetyl-4-oxovalerate?
The molecular weight of Methyl 2-acetyl-4-oxovalerate is 172.07 g/mol.
Where can I buy Methyl 2-acetyl-4-oxovalerate?
You can request a quote for Methyl 2-acetyl-4-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetyl-4-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetyl-4-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.