![[(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate structure](/static/products/877/877237-07-5.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate (CAS 877237-07-5) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate|EN300-26685245
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 3.72818 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 739.43646 |
Chemical Identifiers
| CAS Number | 877237-07-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NC2(CCCCC2)C#N)C)C |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate (CAS 877237-07-5), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate
The XLogP value of 3.72818 indicates that [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate has 1 hydrogen bond donor(s) and 4 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 2,3,4,5,6-pentamethylbenzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate is 877237-07-5.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate is C21H28N2O3.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate is 356.21 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate 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 2,3,4,5,6-pentamethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 2,3,4,5,6-pentamethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.