2-Benzoylhexanenitrile
TL;DR: 2-Benzoylhexanenitrile (CAS 561305-79-1) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylhexanenitrile
Also Known As: 2-benzoylhexanenitrile, 2-Benzoylpentylcarbonitril, J1.921.423K, RefChem:256482
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.19928 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 350.54874 |
Chemical Identifiers
| CAS Number | 561305-79-1 |
|---|---|
| SMILES | CCCCC(C#N)C(=O)C1=CC=CC=C1 |
Product Overview
2-Benzoylhexanenitrile (CAS 561305-79-1), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 2-benzoylhexanenitrile.
Chemical Property Profile of 2-Benzoylhexanenitrile
Property Insights of 2-Benzoylhexanenitrile
The XLogP value of 3.19928 indicates that 2-Benzoylhexanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Benzoylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoylhexanenitrile has 0 hydrogen bond donor(s) and 2 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-Benzoylhexanenitrile?
The CAS number of 2-Benzoylhexanenitrile is 561305-79-1.
What is the molecular formula of 2-Benzoylhexanenitrile?
The molecular formula of 2-Benzoylhexanenitrile is C13H15NO.
What is the molecular weight of 2-Benzoylhexanenitrile?
The molecular weight of 2-Benzoylhexanenitrile is 201.12 g/mol.
Where can I buy 2-Benzoylhexanenitrile?
You can request a quote for 2-Benzoylhexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.