Nerylacetone
TL;DR: Nerylacetone (CAS 3879-26-3) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-6,10-dimethylundeca-5,9-dien-2-one
Also Known As: Nerylacetone, cis-Geranylacetone, Geranylacetone, geranylaceton, teprenone
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 4.0483 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 229.62012 |
Chemical Identifiers
| CAS Number | 3879-26-3 |
|---|---|
| SMILES | CC(=CCC/C(=C\CCC(=O)C)/C)C |
Product Overview
Nerylacetone (CAS 3879-26-3), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: (5Z)-6,10-dimethylundeca-5,9-dien-2-one.
Chemical Property Profile of Nerylacetone
Property Insights of Nerylacetone
The XLogP value of 4.0483 indicates that Nerylacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Nerylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nerylacetone has 0 hydrogen bond donor(s) and 1 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 Nerylacetone?
The CAS number of Nerylacetone is 3879-26-3.
What is the molecular formula of Nerylacetone?
The molecular formula of Nerylacetone is C13H22O.
What is the molecular weight of Nerylacetone?
The molecular weight of Nerylacetone is 194.17 g/mol.
Where can I buy Nerylacetone?
You can request a quote for Nerylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerylacetone?
Yes, KEHONG BIO provides custom synthesis services for Nerylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.