Isopulegyl acetate
TL;DR: Isopulegyl acetate (CAS 57576-09-7) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
Also Known As: Isopulegyl acetate, Isopulegol acetate, ISOPULEGOLACETATE, FEMA No. 2965, (-)-Isopulegyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| Density | 0.929-0.936 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.454-1.457 |
Chemical Identifiers
| CAS Number | 57576-09-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(=C)C |
| InChIKey | HLHIVJRLODSUCI-ADEWGFFLSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopulegyl acetate (CAS 57576-09-7), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate.
Chemical Property Profile of Isopulegyl acetate
Property Insights of Isopulegyl acetate
The XLogP value of 3.5 indicates that Isopulegyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopulegyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopulegyl acetate 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 Isopulegyl acetate?
The CAS number of Isopulegyl acetate is 57576-09-7.
What is the molecular formula of Isopulegyl acetate?
The molecular formula of Isopulegyl acetate is C12H20O2.
What is the molecular weight of Isopulegyl acetate?
The molecular weight of Isopulegyl acetate is 196.15 g/mol.
Where can I buy Isopulegyl acetate?
You can request a quote for Isopulegyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopulegyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopulegyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.