![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate structure](/static/products/100/1004386-21-3.webp)
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate
TL;DR: [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate (CAS 1004386-21-3) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] propanoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] propanoate|[(1-CYANOCYCLOHEXYL)CARBAMOYL]METHYL PROPANOATE|EN300-26683321|Z19770332
Technical Specifications
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.13174 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.13174 Da |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
| SMILES | CCC(=O)OCC(=O)NC1(CCCCC1)C#N |
| InChIKey | CZGKGBFRWZQBBV-UHFFFAOYSA-N |
Chemical Property Profile of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate
Property Insights of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate. Following Lipinski's Rule of Five, [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate?
The CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate is 1004386-21-3.
What is the molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate?
The molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate is C12H18N2O3.
What is the molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate?
The molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate is 238.13174 g/mol.
Where can I buy [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate?
You can request a quote for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate?
Yes, CoreyChem provides custom synthesis services for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.