3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
TL;DR: 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile (CAS 69703-41-9) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
Also Known As: 3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile, 3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenit, 3-[4,4-DIMETHYL-2,6-DIOXO-1-(PROP-2-EN-1-YL)CYCLOHEXYL]PROPANENITRILE, RefChem:274280
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 69703-41-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)(CCC#N)CC=C)C |
| InChIKey | JUAQSZHUCNJOSK-UHFFFAOYSA-N |
Product Overview
3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile (CAS 69703-41-9), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: 3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile.
Chemical Property Profile of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
Property Insights of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile. With a topological polar surface area (TPSA) of 57.9 Ų, 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile 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 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile?
The CAS number of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile is 69703-41-9.
What is the molecular formula of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile?
The molecular formula of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile is C14H19NO2.
What is the molecular weight of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile?
The molecular weight of 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile is 233.14 g/mol.
Where can I buy 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile?
You can request a quote for 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.