乙酸香叶酯
TL;DR: 乙酸香叶酯 (CAS 105-87-3) 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.
乙酸香叶酯
3,7-dimethylocta-2,6-dienyl acetate
Also Known As: Neryl acetate, GERANYL ACETATE, Geraniol acetate, geranylacetate, 3,7-Dimethylocta-2,6-dienyl 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 | 6 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 105-87-3 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=O)C)C)C |
| InChIKey | HIGQPQRQIQDZMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸香叶酯 (CAS 105-87-3), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl acetate.
Chemical Property Profile of 乙酸香叶酯
Property Insights of 乙酸香叶酯
The XLogP value of 3.5 indicates that 乙酸香叶酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸香叶酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸香叶酯 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 乙酸香叶酯?
The CAS number of 乙酸香叶酯 is 105-87-3.
What is the molecular formula of 乙酸香叶酯?
The molecular formula of 乙酸香叶酯 is C12H20O2.
What is the molecular weight of 乙酸香叶酯?
The molecular weight of 乙酸香叶酯 is 196.15 g/mol.
Where can I buy 乙酸香叶酯?
You can request a quote for 乙酸香叶酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸香叶酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸香叶酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.