![[(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate structure](/static/products/876/876586-33-3.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate (CAS 876586-33-3) is a chemical compound with molecular formula C17H17F3N2O3 and molecular weight 354.12 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-(trifluoromethyl)benzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate|EN300-26685793
| Molecular Formula | C17H17F3N2O3 |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.20488 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11914 |
| Heavy Atoms | 25 |
| Complexity | 689.1139 |
Chemical Identifiers
| CAS Number | 876586-33-3 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate (CAS 876586-33-3), with molecular formula C17H17F3N2O3 and molecular weight 354.12 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate
The XLogP value of 3.20488 indicates that [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate 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-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate 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-(trifluoromethyl)benzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate is 876586-33-3.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate is C17H17F3N2O3.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate is 354.12 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)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 2-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.