Butyl 5-oxohexanoate
TL;DR: Butyl 5-oxohexanoate (CAS 54723-19-2) 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.
butyl 5-oxohexanoate
Also Known As: Butyl 5-oxohexanoate, 5-Oxohexanoic acid butyl ester, Hexanoic acid, 5-oxo-, butyl ester, 5-Ketocaproic acid butyl ester, 259-305-4
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 54723-19-2 |
|---|---|
| SMILES | CCCCOC(=O)CCCC(=O)C |
| InChIKey | HCXCVKYQWKDKOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 5-oxohexanoate (CAS 54723-19-2), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: butyl 5-oxohexanoate.
Chemical Property Profile of Butyl 5-oxohexanoate
Property Insights of Butyl 5-oxohexanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-oxohexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl 5-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 5-oxohexanoate 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 Butyl 5-oxohexanoate?
The CAS number of Butyl 5-oxohexanoate is 54723-19-2.
What is the molecular formula of Butyl 5-oxohexanoate?
The molecular formula of Butyl 5-oxohexanoate is C10H18O3.
What is the molecular weight of Butyl 5-oxohexanoate?
The molecular weight of Butyl 5-oxohexanoate is 186.13 g/mol.
Where can I buy Butyl 5-oxohexanoate?
You can request a quote for Butyl 5-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.