2-Oxo-1,3-cyclohexanedipropionitrile
TL;DR: 2-Oxo-1,3-cyclohexanedipropionitrile (CAS 5931-91-9) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
Also Known As: starbld0041489, 2-OXO-1,3-CYCLOHEXANEDIPROPIONITRILE, 2,6-bis(2-cyanoethyl)cyclohexanone, 3-[3-(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile, 3,3'-(2-Oxocyclohexane-1,3-diyl)dipropanenitrile
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 2.57936 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 269.72443 |
Chemical Identifiers
| CAS Number | 5931-91-9 |
|---|---|
| SMILES | C1CC(C(=O)C(C1)CCC#N)CCC#N |
Product Overview
2-Oxo-1,3-cyclohexanedipropionitrile (CAS 5931-91-9), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile.
Chemical Property Profile of 2-Oxo-1,3-cyclohexanedipropionitrile
Property Insights of 2-Oxo-1,3-cyclohexanedipropionitrile
The XLogP value of 2.57936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-1,3-cyclohexanedipropionitrile. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-cyclohexanedipropionitrile. Following Lipinski's Rule of Five, 2-Oxo-1,3-cyclohexanedipropionitrile has 0 hydrogen bond donor(s) and 3 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-Oxo-1,3-cyclohexanedipropionitrile?
The CAS number of 2-Oxo-1,3-cyclohexanedipropionitrile is 5931-91-9.
What is the molecular formula of 2-Oxo-1,3-cyclohexanedipropionitrile?
The molecular formula of 2-Oxo-1,3-cyclohexanedipropionitrile is C12H16N2O.
What is the molecular weight of 2-Oxo-1,3-cyclohexanedipropionitrile?
The molecular weight of 2-Oxo-1,3-cyclohexanedipropionitrile is 204.13 g/mol.
Where can I buy 2-Oxo-1,3-cyclohexanedipropionitrile?
You can request a quote for 2-Oxo-1,3-cyclohexanedipropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,3-cyclohexanedipropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-cyclohexanedipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.