Butyl 4-acetyl-5-oxohexanoate
TL;DR: Butyl 4-acetyl-5-oxohexanoate (CAS 134101-64-7) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-acetyl-5-oxohexanoate
Also Known As: butyl 4-acetyl-5-oxohexanoate, Butyl 4-acetyl-5-oxo-hexanoate, 3-(2-butoxycarbonyl-ethyl)-2,4-pentanedione
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.9041 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 243.74437 |
Chemical Identifiers
| CAS Number | 134101-64-7 |
|---|---|
| SMILES | CCCCOC(=O)CCC(C(=O)C)C(=O)C |
Product Overview
Butyl 4-acetyl-5-oxohexanoate (CAS 134101-64-7), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: butyl 4-acetyl-5-oxohexanoate.
Chemical Property Profile of Butyl 4-acetyl-5-oxohexanoate
Property Insights of Butyl 4-acetyl-5-oxohexanoate
The XLogP value of 1.9041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-acetyl-5-oxohexanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-acetyl-5-oxohexanoate. Following Lipinski's Rule of Five, Butyl 4-acetyl-5-oxohexanoate has 0 hydrogen bond donor(s) and 4 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 4-acetyl-5-oxohexanoate?
The CAS number of Butyl 4-acetyl-5-oxohexanoate is 134101-64-7.
What is the molecular formula of Butyl 4-acetyl-5-oxohexanoate?
The molecular formula of Butyl 4-acetyl-5-oxohexanoate is C12H20O4.
What is the molecular weight of Butyl 4-acetyl-5-oxohexanoate?
The molecular weight of Butyl 4-acetyl-5-oxohexanoate is 228.14 g/mol.
Where can I buy Butyl 4-acetyl-5-oxohexanoate?
You can request a quote for Butyl 4-acetyl-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 4-acetyl-5-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-acetyl-5-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.