![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate structure](/static/products/874/874596-46-0.png)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate (CAS 874596-46-0) is a chemical compound with molecular formula C24H24N2O4 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-benzoylbenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-benzoylbenzoate|EN300-26680331
| Molecular Formula | C24H24N2O4 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 3.75928 |
| Topological Polar Surface Area | 87.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1736 |
| Heavy Atoms | 30 |
| Complexity | 954.9505 |
Chemical Identifiers
| CAS Number | 874596-46-0 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3(CCCCC3)C#N |
Product Overview
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate (CAS 874596-46-0), with molecular formula C24H24N2O4 and molecular weight 404.17 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-benzoylbenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate
The XLogP value of 3.75928 indicates that [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.47 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate has 0 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 [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate is 874596-46-0.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate is C24H24N2O4.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate is 404.17 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 4-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.