2-Oxooctanenitrile
TL;DR: 2-Oxooctanenitrile (CAS 80997-84-8) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptanoyl cyanide
Also Known As: 2-Oxooctanenitrile, heptanoyl cyanide, Octanenitrile, 2-oxo-, EINECS 279-644-1, 279-644-1
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 2.04948 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 134.68324 |
Chemical Identifiers
| CAS Number | 80997-84-8 |
|---|---|
| SMILES | CCCCCCC(=O)C#N |
Product Overview
2-Oxooctanenitrile (CAS 80997-84-8), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: heptanoyl cyanide.
Chemical Property Profile of 2-Oxooctanenitrile
Property Insights of 2-Oxooctanenitrile
The XLogP value of 2.04948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxooctanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Oxooctanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxooctanenitrile 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-Oxooctanenitrile?
The CAS number of 2-Oxooctanenitrile is 80997-84-8.
What is the molecular formula of 2-Oxooctanenitrile?
The molecular formula of 2-Oxooctanenitrile is C8H13NO.
What is the molecular weight of 2-Oxooctanenitrile?
The molecular weight of 2-Oxooctanenitrile is 139.10 g/mol.
Where can I buy 2-Oxooctanenitrile?
You can request a quote for 2-Oxooctanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxooctanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxooctanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.