Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
TL;DR: Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester (CAS 1144-50-9) is a chemical compound with molecular formula C14H24O3 and molecular weight 240.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 3-oxobutanoate
Also Known As: Menthol acetoacetate, Menthyl acetoacetate, Acetessigsaurementhylester, laevo-menthyl acetoacetate, 3-Oxobutyric acid menthyl ester
| Molecular Formula | C14H24O3 |
|---|---|
| Molecular Weight | 240.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.17255 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 1144-50-9 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CC(=O)C)C(C)C |
| InChIKey | QSVQIPXQOCAWHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester (CAS 1144-50-9), with molecular formula C14H24O3 and molecular weight 240.17 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Property Insights of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
The XLogP value of 3.4 indicates that Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl 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 Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester?
The CAS number of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester is 1144-50-9.
What is the molecular formula of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester?
The molecular formula of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester is C14H24O3.
What is the molecular weight of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester?
The molecular weight of Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester is 240.17 g/mol.
Where can I buy Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester?
You can request a quote for Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.