2-氧代-1,1,3,3-环己烷四丙腈
TL;DR: 2-氧代-1,1,3,3-环己烷四丙腈 (CAS 5883-05-6) is a chemical compound with molecular formula C18H22N4O and molecular weight 310.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氧代-1,1,3,3-环己烷四丙腈
3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
Also Known As: ChemDiv2_000173, 1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-, 2-Oxo-1,1,3,3-cyclohexanetetrapropionitrile, 2-Oxo-1,3,3-cyclohexanetetrapropionitrile, 2-Oxo-cyclohexane-1,1,3,3-tetrapropionitrile
| Molecular Formula | C18H22N4O |
|---|---|
| Molecular Weight | 310.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.17935 |
| Heavy Atoms | 23 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 5883-05-6 |
|---|---|
| SMILES | C1CC(C(=O)C(C1)(CCC#N)CCC#N)(CCC#N)CCC#N |
| InChIKey | CVIHOXZFBYQKBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氧代-1,1,3,3-环己烷四丙腈 (CAS 5883-05-6), with molecular formula C18H22N4O and molecular weight 310.18 g/mol. IUPAC: 3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile.
Chemical Property Profile of 2-氧代-1,1,3,3-环己烷四丙腈
Property Insights of 2-氧代-1,1,3,3-环己烷四丙腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氧代-1,1,3,3-环己烷四丙腈. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氧代-1,1,3,3-环己烷四丙腈. Following Lipinski's Rule of Five, 2-氧代-1,1,3,3-环己烷四丙腈 has 0 hydrogen bond donor(s) and 5 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-氧代-1,1,3,3-环己烷四丙腈?
The CAS number of 2-氧代-1,1,3,3-环己烷四丙腈 is 5883-05-6.
What is the molecular formula of 2-氧代-1,1,3,3-环己烷四丙腈?
The molecular formula of 2-氧代-1,1,3,3-环己烷四丙腈 is C18H22N4O.
What is the molecular weight of 2-氧代-1,1,3,3-环己烷四丙腈?
The molecular weight of 2-氧代-1,1,3,3-环己烷四丙腈 is 310.18 g/mol.
Where can I buy 2-氧代-1,1,3,3-环己烷四丙腈?
You can request a quote for 2-氧代-1,1,3,3-环己烷四丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氧代-1,1,3,3-环己烷四丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氧代-1,1,3,3-环己烷四丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.