![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate structure](/static/products/100/1004386-21-3.png)
[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 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] propanoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] propanoate|[(1-CYANOCYCLOHEXYL)CARBAMOYL]METHYL PROPANOATE|EN300-26683321
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 1.28228 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 327.13266 |
Chemical Identifiers
| CAS Number | 1004386-21-3 |
|---|---|
| SMILES | CCC(=O)OCC(=O)NC1(CCCCC1)C#N |
Product Overview
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate (CAS 1004386-21-3), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] propanoate.
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 1.28228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate. The TPSA of 79.19 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
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 238.13 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] propanoate?
Yes, KEHONG BIO 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.