戊酸芳樟酯
TL;DR: 戊酸芳樟酯 (CAS 10471-96-2) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊酸芳樟酯
3,7-dimethylocta-1,6-dien-3-yl pentanoate
Also Known As: Linalyl valerate, Linalyl pentanoate, Linalylvalerate, linalylvalerianat, Linalyl N-valerate
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 10471-96-2 |
|---|---|
| SMILES | CCCCC(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | BYTYEUINJPKZIB-UHFFFAOYSA-N |
Product Overview
戊酸芳樟酯 (CAS 10471-96-2), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl pentanoate.
Chemical Property Profile of 戊酸芳樟酯
Property Insights of 戊酸芳樟酯
The XLogP value of 4.7 indicates that 戊酸芳樟酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 戊酸芳樟酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊酸芳樟酯 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 戊酸芳樟酯?
The CAS number of 戊酸芳樟酯 is 10471-96-2.
What is the molecular formula of 戊酸芳樟酯?
The molecular formula of 戊酸芳樟酯 is C15H26O2.
What is the molecular weight of 戊酸芳樟酯?
The molecular weight of 戊酸芳樟酯 is 238.19 g/mol.
Where can I buy 戊酸芳樟酯?
You can request a quote for 戊酸芳樟酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊酸芳樟酯?
Yes, KEHONG BIO provides custom synthesis services for 戊酸芳樟酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.