2-Ethylbutyl 3-oxobutanoate
TL;DR: 2-Ethylbutyl 3-oxobutanoate (CAS 15752-05-3) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl 3-oxobutanoate
Also Known As: 2-ethylbutyl 3-oxobutanoate, Butanoic acid, 3-oxo-,2-ethylbutyl ester, Butanoic acid,3-oxo-,2-ethylbutyl ester, RefChem:1063077
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 15752-05-3 |
|---|---|
| SMILES | CCC(CC)COC(=O)CC(=O)C |
| InChIKey | NFAFRNJHCSTARJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyl 3-oxobutanoate (CAS 15752-05-3), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 2-ethylbutyl 3-oxobutanoate.
Chemical Property Profile of 2-Ethylbutyl 3-oxobutanoate
Property Insights of 2-Ethylbutyl 3-oxobutanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbutyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Ethylbutyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl 3-oxobutanoate 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-Ethylbutyl 3-oxobutanoate?
The CAS number of 2-Ethylbutyl 3-oxobutanoate is 15752-05-3.
What is the molecular formula of 2-Ethylbutyl 3-oxobutanoate?
The molecular formula of 2-Ethylbutyl 3-oxobutanoate is C10H18O3.
What is the molecular weight of 2-Ethylbutyl 3-oxobutanoate?
The molecular weight of 2-Ethylbutyl 3-oxobutanoate is 186.13 g/mol.
Where can I buy 2-Ethylbutyl 3-oxobutanoate?
You can request a quote for 2-Ethylbutyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.