![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate structure](/static/products/103/1038035-67-4.png)
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
TL;DR: [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate (CAS 1038035-67-4) is a chemical compound with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate|[(1-CYANOCYCLOHEXYL)CARBAMOYL]METHYL 3-ETHOXY-4-(2-METHYLPROPOXY)BENZOATE|EN300-26686582
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 3.61958 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 748.0598 |
Chemical Identifiers
| CAS Number | 1038035-67-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OCC(C)C |
Product Overview
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate (CAS 1038035-67-4), with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate.
Chemical Property Profile of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
Property Insights of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
The XLogP value of 3.61958 indicates that [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate. Following Lipinski's Rule of Five, [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate has 1 hydrogen bond donor(s) and 6 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] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is 1038035-67-4.
What is the molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is C22H30N2O5.
What is the molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
The molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate is 402.22 g/mol.
Where can I buy [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate?
You can request a quote for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate 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] 3-ethoxy-4-(2-methylpropoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.