![[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate structure](/static/products/874/874012-21-2.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate (CAS 874012-21-2) is a chemical compound with molecular formula C19H20N4O4 and molecular weight 368.15 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-[(2-cyanoacetyl)amino]benzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate|EN300-26686327
| Molecular Formula | C19H20N4O4 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 2.03826 |
| Topological Polar Surface Area | 132.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.14847 |
| Heavy Atoms | 27 |
| Complexity | 783.4131 |
Chemical Identifiers
| CAS Number | 874012-21-2 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate (CAS 874012-21-2), with molecular formula C19H20N4O4 and molecular weight 368.15 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate
The XLogP value of 2.03826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate. The TPSA of 132.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)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 [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate is 874012-21-2.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate is C19H20N4O4.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate is 368.15 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(2-cyanoacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.