Pentanoic acid, 2-methyl-4-oxo-, ethyl ester
TL;DR: Pentanoic acid, 2-methyl-4-oxo-, ethyl ester (CAS 4749-12-6) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-oxopentanoate
Also Known As: Ethyl 2-methyl-4-oxopentanoate, Ethyl2-methyl-4-oxopentanoate, ethyl 2-methyl-4-oxo-pentanoate, 2-Methyl-4-oxovaleric acid ethyl ester, Ethyl 2-methyl-4-oxopentanoate #
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 4749-12-6 |
|---|---|
| SMILES | CCOC(=O)C(C)CC(=O)C |
| InChIKey | KDAUHJMEXOZJRQ-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 2-methyl-4-oxo-, ethyl ester (CAS 4749-12-6), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 2-methyl-4-oxopentanoate.
Chemical Property Profile of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester
Property Insights of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 2-methyl-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Pentanoic acid, 2-methyl-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-methyl-4-oxo-, ethyl ester 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 Pentanoic acid, 2-methyl-4-oxo-, ethyl ester?
The CAS number of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester is 4749-12-6.
What is the molecular formula of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester?
The molecular formula of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester is C8H14O3.
What is the molecular weight of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester?
The molecular weight of Pentanoic acid, 2-methyl-4-oxo-, ethyl ester is 158.09 g/mol.
Where can I buy Pentanoic acid, 2-methyl-4-oxo-, ethyl ester?
You can request a quote for Pentanoic acid, 2-methyl-4-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 2-methyl-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2-methyl-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.