2-Ethylhexyl 4-oxovalerate
TL;DR: 2-Ethylhexyl 4-oxovalerate (CAS 70158-20-2) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 4-oxopentanoate
Also Known As: 2-Ethylhexyl 4-oxovalerate, 2-ethylhexyl 4-oxopentanoate, EINECS 274-346-8, Levulinic acid 2-ethylhexyl ester, 4-Oxovaleric acid 2-ethylhexyl ester
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 3.1152 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 211.22325 |
Chemical Identifiers
| CAS Number | 70158-20-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCC(=O)C |
Product Overview
2-Ethylhexyl 4-oxovalerate (CAS 70158-20-2), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: 2-ethylhexyl 4-oxopentanoate.
Chemical Property Profile of 2-Ethylhexyl 4-oxovalerate
Property Insights of 2-Ethylhexyl 4-oxovalerate
The XLogP value of 3.1152 indicates that 2-Ethylhexyl 4-oxovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Ethylhexyl 4-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 4-oxovalerate 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 2-Ethylhexyl 4-oxovalerate?
The CAS number of 2-Ethylhexyl 4-oxovalerate is 70158-20-2.
What is the molecular formula of 2-Ethylhexyl 4-oxovalerate?
The molecular formula of 2-Ethylhexyl 4-oxovalerate is C13H24O3.
What is the molecular weight of 2-Ethylhexyl 4-oxovalerate?
The molecular weight of 2-Ethylhexyl 4-oxovalerate is 228.17 g/mol.
Where can I buy 2-Ethylhexyl 4-oxovalerate?
You can request a quote for 2-Ethylhexyl 4-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 4-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 4-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.