l-Menthyl acetoacetate
TL;DR: l-Menthyl acetoacetate (CAS 59557-05-0) 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.
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate
Also Known As: L-Menthyl acetoacetate, Menthol acetoacetate, Menthyl acetoacetate, laevo-menthyl acetoacetate, L-MENTHYL ACETOACETATE [FHFI]
| 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 |
| Density | 0.979-0.985 |
| Solubility | Sparingly soluble in water; soluble in many non-polar solvents |
| Refractive Index | 1.458-1.466 |
Chemical Identifiers
| CAS Number | 59557-05-0 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CC(=O)C)C(C)C |
| InChIKey | QSVQIPXQOCAWHP-UHTWSYAYSA-N |
Product Overview
l-Menthyl acetoacetate (CAS 59557-05-0), with molecular formula C14H24O3 and molecular weight 240.17 g/mol. IUPAC: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate.
Chemical Property Profile of l-Menthyl acetoacetate
Property Insights of l-Menthyl acetoacetate
The XLogP value of 3.4 indicates that l-Menthyl acetoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, l-Menthyl acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, l-Menthyl acetoacetate 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 l-Menthyl acetoacetate?
The CAS number of l-Menthyl acetoacetate is 59557-05-0.
What is the molecular formula of l-Menthyl acetoacetate?
The molecular formula of l-Menthyl acetoacetate is C14H24O3.
What is the molecular weight of l-Menthyl acetoacetate?
The molecular weight of l-Menthyl acetoacetate is 240.17 g/mol.
Where can I buy l-Menthyl acetoacetate?
You can request a quote for l-Menthyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for l-Menthyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for l-Menthyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.