Octanoic acid, 4-oxo-, butyl ester
TL;DR: Octanoic acid, 4-oxo-, butyl ester (CAS 18688-70-5) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-oxooctanoate
Also Known As: Butyl 4-oxooctanoate, Octanoic acid, 4-oxo-, butyl ester, 4-oxo-octanoic acid butyl ester, 4-Oxooctanoic acid butyl ester, 4-Ketocaprylic acid butyl ester
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.8692 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 187.30626 |
Chemical Identifiers
| CAS Number | 18688-70-5 |
|---|---|
| SMILES | CCCCC(=O)CCC(=O)OCCCC |
Product Overview
Octanoic acid, 4-oxo-, butyl ester (CAS 18688-70-5), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: butyl 4-oxooctanoate.
Chemical Property Profile of Octanoic acid, 4-oxo-, butyl ester
Property Insights of Octanoic acid, 4-oxo-, butyl ester
The XLogP value of 2.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 4-oxo-, butyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, Octanoic acid, 4-oxo-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 4-oxo-, butyl 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 Octanoic acid, 4-oxo-, butyl ester?
The CAS number of Octanoic acid, 4-oxo-, butyl ester is 18688-70-5.
What is the molecular formula of Octanoic acid, 4-oxo-, butyl ester?
The molecular formula of Octanoic acid, 4-oxo-, butyl ester is C12H22O3.
What is the molecular weight of Octanoic acid, 4-oxo-, butyl ester?
The molecular weight of Octanoic acid, 4-oxo-, butyl ester is 214.16 g/mol.
Where can I buy Octanoic acid, 4-oxo-, butyl ester?
You can request a quote for Octanoic acid, 4-oxo-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 4-oxo-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 4-oxo-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.