乙酸薄荷酯
TL;DR: 乙酸薄荷酯 (CAS 20042-98-2) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸薄荷酯
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Also Known As: L-Menthyl acetate, Menthyl acetate, (-)-Menthyl acetate, l-Menthol acetate, (1R)-(-)-Menthyl acetate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 20042-98-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C |
| InChIKey | XHXUANMFYXWVNG-ADEWGFFLSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸薄荷酯 (CAS 20042-98-2), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate.
Chemical Property Profile of 乙酸薄荷酯
Property Insights of 乙酸薄荷酯
The XLogP value of 3.6 indicates that 乙酸薄荷酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸薄荷酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸薄荷酯 has 0 hydrogen bond donor(s) and 2 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 乙酸薄荷酯?
The CAS number of 乙酸薄荷酯 is 20042-98-2.
What is the molecular formula of 乙酸薄荷酯?
The molecular formula of 乙酸薄荷酯 is C12H22O2.
What is the molecular weight of 乙酸薄荷酯?
The molecular weight of 乙酸薄荷酯 is 198.16 g/mol.
Where can I buy 乙酸薄荷酯?
You can request a quote for 乙酸薄荷酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸薄荷酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸薄荷酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.