2-Butylhexanenitrile
TL;DR: 2-Butylhexanenitrile (CAS 4528-41-0) is a chemical compound with molecular formula C10H19N and molecular weight 153.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylhexanenitrile
Also Known As: 2-butylhexanenitrile, 5-cyanononane, 2-butyl-hexanenitrile, Dibutylessigsaeure-nitril, J3.721.077C
| Molecular Formula | C10H19N |
|---|---|
| Molecular Weight | 153.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 153.15175 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 4528-41-0 |
|---|---|
| SMILES | CCCCC(CCCC)C#N |
| InChIKey | XJAZNBIFHCOPGP-UHFFFAOYSA-N |
Product Overview
2-Butylhexanenitrile (CAS 4528-41-0), with molecular formula C10H19N and molecular weight 153.15 g/mol. IUPAC: 2-butylhexanenitrile.
Chemical Property Profile of 2-Butylhexanenitrile
Property Insights of 2-Butylhexanenitrile
The XLogP value of 3.9 indicates that 2-Butylhexanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Butylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butylhexanenitrile 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 2-Butylhexanenitrile?
The CAS number of 2-Butylhexanenitrile is 4528-41-0.
What is the molecular formula of 2-Butylhexanenitrile?
The molecular formula of 2-Butylhexanenitrile is C10H19N.
What is the molecular weight of 2-Butylhexanenitrile?
The molecular weight of 2-Butylhexanenitrile is 153.15 g/mol.
Where can I buy 2-Butylhexanenitrile?
You can request a quote for 2-Butylhexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butylhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.