![[(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate structure](/static/products/876/876669-08-8.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate (CAS 876669-08-8) is a chemical compound with molecular formula C16H17FN2O3 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-fluorobenzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-fluorobenzoate|EN300-26685440
| Molecular Formula | C16H17FN2O3 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 2.32518 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.1223 |
| Heavy Atoms | 22 |
| Complexity | 603.6536 |
Chemical Identifiers
| CAS Number | 876669-08-8 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)F |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate (CAS 876669-08-8), with molecular formula C16H17FN2O3 and molecular weight 304.12 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-fluorobenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate
The XLogP value of 2.32518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate 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 3-fluorobenzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate is 876669-08-8.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate is C16H17FN2O3.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate is 304.12 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate 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 3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.