Neral nitrile
TL;DR: Neral nitrile (CAS 31983-27-4) 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.
(2Z)-3,7-dimethylocta-2,6-dienenitrile
Also Known As: Neral nitrile, Citralva, cis-Geranylnitrile, Neryl nitrile, (Z)-Geranyl 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 | 31983-27-4 |
|---|---|
| SMILES | CC(=CCC/C(=C\C#N)/C)C |
Product Overview
Neral nitrile (CAS 31983-27-4), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: (2Z)-3,7-dimethylocta-2,6-dienenitrile.
Chemical Property Profile of Neral nitrile
Property Insights of Neral nitrile
The XLogP value of 3.20268 indicates that Neral nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Neral nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neral 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 Neral nitrile?
The CAS number of Neral nitrile is 31983-27-4.
What is the molecular formula of Neral nitrile?
The molecular formula of Neral nitrile is C10H15N.
What is the molecular weight of Neral nitrile?
The molecular weight of Neral nitrile is 149.12 g/mol.
Where can I buy Neral nitrile?
You can request a quote for Neral nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neral nitrile?
Yes, KEHONG BIO provides custom synthesis services for Neral nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.