Geranyl nitrile
TL;DR: Geranyl nitrile (CAS 5146-66-7) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienenitrile
Also Known As: Geranyl nitrile, citronitrile, Citralva, 3,7-Dimethylocta-2,6-dienenitrile, Geranonitrile
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5146-66-7 |
|---|---|
| SMILES | CC(=CCCC(=CC#N)C)C |
| InChIKey | HLCSDJLATUNSSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Geranyl nitrile (CAS 5146-66-7), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienenitrile.
Chemical Property Profile of Geranyl nitrile
Property Insights of Geranyl nitrile
The XLogP value of 3.3 indicates that Geranyl nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Geranyl nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Geranyl nitrile 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 Geranyl nitrile?
The CAS number of Geranyl nitrile is 5146-66-7.
What is the molecular formula of Geranyl nitrile?
The molecular formula of Geranyl nitrile is C10H15N.
What is the molecular weight of Geranyl nitrile?
The molecular weight of Geranyl nitrile is 149.12 g/mol.
Where can I buy Geranyl nitrile?
You can request a quote for Geranyl nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geranyl nitrile?
Yes, KEHONG BIO provides custom synthesis services for Geranyl nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.