![[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate structure](/static/products/871/871672-68-3.png)
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
TL;DR: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate (CAS 871672-68-3) is a chemical compound with molecular formula C21H28N4O4 and molecular weight 400.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate|[(1-cyanocyclohexyl)carbamoyl]methyl 4-({[(propan-2-yl)carbamoyl]amino}methyl)benzoate|EN300-26686234
| Molecular Formula | C21H28N4O4 |
|---|---|
| Molecular Weight | 400.21 g/mol |
| LogP | 2.39368 |
| Topological Polar Surface Area | 120.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.21106 |
| Heavy Atoms | 29 |
| Complexity | 761.8809 |
Chemical Identifiers
| CAS Number | 871672-68-3 |
|---|---|
| SMILES | CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N |
Product Overview
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate (CAS 871672-68-3), with molecular formula C21H28N4O4 and molecular weight 400.21 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate.
Chemical Property Profile of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
Property Insights of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
The XLogP value of 2.39368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate. The TPSA of 120.32 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate. Following Lipinski's Rule of Five, [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate has 3 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-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate?
The CAS number of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate is 871672-68-3.
What is the molecular formula of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate?
The molecular formula of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate is C21H28N4O4.
What is the molecular weight of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate?
The molecular weight of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate is 400.21 g/mol.
Where can I buy [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate?
You can request a quote for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]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] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.