![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate structure](/static/products/100/1008699-71-5.png)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate
TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate (CAS 1008699-71-5) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-ethylsulfinylbenzoate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate|EN300-26686887
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 1.92348 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 690.0761 |
Chemical Identifiers
| CAS Number | 1008699-71-5 |
|---|---|
| SMILES | CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2(CCCC2)C#N |
Product Overview
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate (CAS 1008699-71-5), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-ethylsulfinylbenzoate.
Chemical Property Profile of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate
Property Insights of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate
The XLogP value of 1.92348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate 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-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate?
The CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate is 1008699-71-5.
What is the molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate?
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate is C17H20N2O4S.
What is the molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate?
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate is 348.11 g/mol.
Where can I buy [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate?
You can request a quote for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.