3-(2-Oxocyclododecyl)propanenitrile
TL;DR: 3-(2-Oxocyclododecyl)propanenitrile (CAS 62940-04-9) is a chemical compound with molecular formula C15H25NO and molecular weight 235.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxocyclododecyl)propanenitrile
Also Known As: 3-(2-oxocyclododecyl)propanenitrile, 3- propanenitrile, EDTADISODIUMCUPRICSALT, Cyclododecanepropanenitrile, 2-oxo-, BRD-A79941412-001-01-8
| Molecular Formula | C15H25NO |
|---|---|
| Molecular Weight | 235.19 g/mol |
| LogP | 4.39008 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.19362 |
| Heavy Atoms | 17 |
| Complexity | 254.13766 |
Chemical Identifiers
| CAS Number | 62940-04-9 |
|---|---|
| SMILES | C1CCCCCC(=O)C(CCCC1)CCC#N |
Product Overview
3-(2-Oxocyclododecyl)propanenitrile (CAS 62940-04-9), with molecular formula C15H25NO and molecular weight 235.19 g/mol. IUPAC: 3-(2-oxocyclododecyl)propanenitrile.
Chemical Property Profile of 3-(2-Oxocyclododecyl)propanenitrile
Property Insights of 3-(2-Oxocyclododecyl)propanenitrile
The XLogP value of 4.39008 indicates that 3-(2-Oxocyclododecyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(2-Oxocyclododecyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxocyclododecyl)propanenitrile 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 3-(2-Oxocyclododecyl)propanenitrile?
The CAS number of 3-(2-Oxocyclododecyl)propanenitrile is 62940-04-9.
What is the molecular formula of 3-(2-Oxocyclododecyl)propanenitrile?
The molecular formula of 3-(2-Oxocyclododecyl)propanenitrile is C15H25NO.
What is the molecular weight of 3-(2-Oxocyclododecyl)propanenitrile?
The molecular weight of 3-(2-Oxocyclododecyl)propanenitrile is 235.19 g/mol.
Where can I buy 3-(2-Oxocyclododecyl)propanenitrile?
You can request a quote for 3-(2-Oxocyclododecyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxocyclododecyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxocyclododecyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.