Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate
TL;DR: Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate (CAS 85237-84-9) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate
Also Known As: EINECS 286-446-9, Butyl 2-hydroxy-5-methyl-4-oxohepta-2,5-dienoate, 2,5-Heptadienoic acid,2-hydroxy-5-methyl-4-oxo-, butyl ester, 2,5-Heptadienoic acid, 2-hydroxy-5-methyl-4-oxo-, butyl ester
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.3069 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 312.98044 |
Chemical Identifiers
| CAS Number | 85237-84-9 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)C=C(C(=CC)C)O |
Product Overview
Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate (CAS 85237-84-9), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate.
Chemical Property Profile of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate
Property Insights of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate
The XLogP value of 2.3069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate. Following Lipinski's Rule of Five, Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate has 1 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-hydroxy-5-methyl-2-oxohepta-3,5-dienoate?
The CAS number of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate is 85237-84-9.
What is the molecular formula of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate?
The molecular formula of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate is C12H18O4.
What is the molecular weight of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate?
The molecular weight of Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate is 226.12 g/mol.
Where can I buy Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate?
You can request a quote for Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-hydroxy-5-methyl-2-oxohepta-3,5-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.