水杨酸芳樟酯
TL;DR: 水杨酸芳樟酯 (CAS 7149-28-2) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酸芳樟酯
3,7-dimethylocta-1,6-dien-3-yl 2-hydroxybenzoate
Also Known As: linalyl salicylate, 3,7-dimethylocta-1,6-dien-3-yl salicylate, 3,7-dimethylocta-1,6-dien-3-yl 2-hydroxybenzoate, Benzoic acid, 2-hydroxy-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester, Benzoic acid, 2-hydroxy-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 7149-28-2 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1O)C |
| InChIKey | WESZRZFUMXBTNU-UHFFFAOYSA-N |
Product Overview
水杨酸芳樟酯 (CAS 7149-28-2), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸芳樟酯
Property Insights of 水杨酸芳樟酯
The XLogP value of 5.2 indicates that 水杨酸芳樟酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸芳樟酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸芳樟酯 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 水杨酸芳樟酯?
The CAS number of 水杨酸芳樟酯 is 7149-28-2.
What is the molecular formula of 水杨酸芳樟酯?
The molecular formula of 水杨酸芳樟酯 is C17H22O3.
What is the molecular weight of 水杨酸芳樟酯?
The molecular weight of 水杨酸芳樟酯 is 274.16 g/mol.
Where can I buy 水杨酸芳樟酯?
You can request a quote for 水杨酸芳樟酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸芳樟酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸芳樟酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.