![[(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate structure](/static/products/949/949368-47-2.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate (CAS 949368-47-2) is a chemical compound with molecular formula C17H19FN2O3S and molecular weight 350.11 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-fluorophenyl)sulfanylacetate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate|EN300-26685550
| Molecular Formula | C17H19FN2O3S |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 2.80368 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.11005 |
| Heavy Atoms | 24 |
| Complexity | 638.96796 |
Chemical Identifiers
| CAS Number | 949368-47-2 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2F |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate (CAS 949368-47-2), with molecular formula C17H19FN2O3S and molecular weight 350.11 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate
The XLogP value of 2.80368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate has 1 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)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate is 949368-47-2.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate is C17H19FN2O3S.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate is 350.11 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]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-fluorophenyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(2-fluorophenyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.