Neryl hexanoate
TL;DR: Neryl hexanoate (CAS 10032-02-7) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl hexanoate
Also Known As: Neryl hexanoate, Geranyl hexanoate, Geranyl caproate, Neryl caproate, 3,7-dimethylocta-2,6-dienyl hexanoate
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 10032-02-7 |
|---|---|
| SMILES | CCCCCC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | ARVSCQUZFFSNKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neryl hexanoate (CAS 10032-02-7), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl hexanoate.
Chemical Property Profile of Neryl hexanoate
Property Insights of Neryl hexanoate
The XLogP value of 5.4 indicates that Neryl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Neryl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neryl hexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neryl hexanoate?
The CAS number of Neryl hexanoate is 10032-02-7.
What is the molecular formula of Neryl hexanoate?
The molecular formula of Neryl hexanoate is C16H28O2.
What is the molecular weight of Neryl hexanoate?
The molecular weight of Neryl hexanoate is 252.21 g/mol.
Where can I buy Neryl hexanoate?
You can request a quote for Neryl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neryl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Neryl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.