Geranonitrile
TL;DR: Geranonitrile (CAS 5585-39-7) 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.
(2E)-3,7-dimethylocta-2,6-dienenitrile
Also Known As: Geranyl nitrile, Geranonitrile, Citralva, 3,7-Dimethylocta-2,6-dienenitrile, Neral nitrile
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 3.20268 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 199.4029 |
Chemical Identifiers
| CAS Number | 5585-39-7 |
|---|---|
| SMILES | CC(=CCC/C(=C/C#N)/C)C |
Product Overview
Geranonitrile (CAS 5585-39-7), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: (2E)-3,7-dimethylocta-2,6-dienenitrile.
Chemical Property Profile of Geranonitrile
Property Insights of Geranonitrile
The XLogP value of 3.20268 indicates that Geranonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Geranonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Geranonitrile 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 Geranonitrile?
The CAS number of Geranonitrile is 5585-39-7.
What is the molecular formula of Geranonitrile?
The molecular formula of Geranonitrile is C10H15N.
What is the molecular weight of Geranonitrile?
The molecular weight of Geranonitrile is 149.12 g/mol.
Where can I buy Geranonitrile?
You can request a quote for Geranonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geranonitrile?
Yes, KEHONG BIO provides custom synthesis services for Geranonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.