Neryl propionate
TL;DR: Neryl propionate (CAS 105-91-9) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
Also Known As: Neryl propionate, Neryl propanoate, nerylpropionat-, Neryl ester, Propionic acid, neryl ester
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.6323 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 245.26157 |
Chemical Identifiers
| CAS Number | 105-91-9 |
|---|---|
| SMILES | CCC(=O)OC/C=C(/C)\CCC=C(C)C |
Product Overview
Neryl propionate (CAS 105-91-9), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate.
Chemical Property Profile of Neryl propionate
Property Insights of Neryl propionate
The XLogP value of 3.6323 indicates that Neryl propionate 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 propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neryl propionate 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 Neryl propionate?
The CAS number of Neryl propionate is 105-91-9.
What is the molecular formula of Neryl propionate?
The molecular formula of Neryl propionate is C13H22O2.
What is the molecular weight of Neryl propionate?
The molecular weight of Neryl propionate is 210.16 g/mol.
Where can I buy Neryl propionate?
You can request a quote for Neryl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neryl propionate?
Yes, KEHONG BIO provides custom synthesis services for Neryl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.