苯甲酸芳樟酯
TL;DR: 苯甲酸芳樟酯 (CAS 126-64-7) is a chemical compound with molecular formula C17H22O2 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸芳樟酯
3,7-dimethylocta-1,6-dien-3-yl benzoate
Also Known As: Linalyl benzoate, Linalool, benzoate, Linalol benzoate, Linalylbenzoate, Benzoic acid linalool ester
| Molecular Formula | C17H22O2 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.162 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| Boiling Point | 263.00 °C. @ 760.00 mm Hg |
| Density | 0.978-0.999 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.505-1.526 |
Chemical Identifiers
| CAS Number | 126-64-7 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C |
| InChIKey | BTJXBZZBBNNTOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸芳樟酯 (CAS 126-64-7), with molecular formula C17H22O2 and molecular weight 258.16 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl benzoate.
Chemical Property Profile of 苯甲酸芳樟酯
Property Insights of 苯甲酸芳樟酯
The XLogP value of 5.0 indicates that 苯甲酸芳樟酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸芳樟酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸芳樟酯 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 苯甲酸芳樟酯?
The CAS number of 苯甲酸芳樟酯 is 126-64-7.
What is the molecular formula of 苯甲酸芳樟酯?
The molecular formula of 苯甲酸芳樟酯 is C17H22O2.
What is the molecular weight of 苯甲酸芳樟酯?
The molecular weight of 苯甲酸芳樟酯 is 258.16 g/mol.
Where can I buy 苯甲酸芳樟酯?
You can request a quote for 苯甲酸芳樟酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸芳樟酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸芳樟酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.