甲酸香叶酯
TL;DR: 甲酸香叶酯 (CAS 105-86-2) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酸香叶酯
3,7-dimethylocta-2,6-dienyl formate
Also Known As: Geranyl formate, Neryl formate, (E)-geranyl formate, 3,7-dimethylocta-2,6-dienyl formate, 3,7-dimethylocta-2,6-dien-1-yl formate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 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 | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 105-86-2 |
|---|---|
| SMILES | CC(=CCCC(=CCOC=O)C)C |
| InChIKey | FQMZVFJYMPNUCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲酸香叶酯 (CAS 105-86-2), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl formate.
Chemical Property Profile of 甲酸香叶酯
Property Insights of 甲酸香叶酯
The XLogP value of 3.5 indicates that 甲酸香叶酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 甲酸香叶酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲酸香叶酯 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 甲酸香叶酯?
The CAS number of 甲酸香叶酯 is 105-86-2.
What is the molecular formula of 甲酸香叶酯?
The molecular formula of 甲酸香叶酯 is C11H18O2.
What is the molecular weight of 甲酸香叶酯?
The molecular weight of 甲酸香叶酯 is 182.13 g/mol.
Where can I buy 甲酸香叶酯?
You can request a quote for 甲酸香叶酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酸香叶酯?
Yes, KEHONG BIO provides custom synthesis services for 甲酸香叶酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.