![[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate structure](/static/products/874/874593-41-6.png)
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
TL;DR: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (CAS 874593-41-6) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 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-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate|[(1-cyanocyclohexyl)carbamoyl]methyl 3-{[(tert-butoxy)carbonyl]amino}benzoate|EN300-26686769
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 3.53308 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 801.26996 |
Chemical Identifiers
| CAS Number | 874593-41-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N |
Product Overview
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate (CAS 874593-41-6), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate.
Chemical Property Profile of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
Property Insights of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
The XLogP value of 3.53308 indicates that [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate. Following Lipinski's Rule of Five, [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate has 2 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-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The CAS number of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is 874593-41-6.
What is the molecular formula of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The molecular formula of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is C21H27N3O5.
What is the molecular weight of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
The molecular weight of [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate is 401.20 g/mol.
Where can I buy [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
You can request a quote for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]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-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.