![[(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate structure](/static/products/877/877831-41-9.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate (CAS 877831-41-9) is a chemical compound with molecular formula C17H18ClFN2O3 and molecular weight 352.10 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-(2-chloro-6-fluorophenyl)acetate
Also Known As: starbld0002384, [(1-cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate, [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate, 2-((1-Cyanocyclohexyl)amino)-2-oxoethyl 2-(2-chloro-6-fluorophenyl)acetate
| Molecular Formula | C17H18ClFN2O3 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.90748 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.099 |
| Heavy Atoms | 24 |
| Complexity | 646.0398 |
Chemical Identifiers
| CAS Number | 877831-41-9 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)F |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate (CAS 877831-41-9), with molecular formula C17H18ClFN2O3 and molecular weight 352.10 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate
The XLogP value of 2.90748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate 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-(2-chloro-6-fluorophenyl)acetate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate is 877831-41-9.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate is C17H18ClFN2O3.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate is 352.10 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate 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-(2-chloro-6-fluorophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-(2-chloro-6-fluorophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.