![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate structure](/static/products/874/874971-34-3.png)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate (CAS 874971-34-3) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-methylsulfanylbenzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-methylsulfanylbenzoate|EN300-26680414
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.25018 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 647.9091 |
Chemical Identifiers
| CAS Number | 874971-34-3 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC=CC=C1SC)C2(CCCCC2)C#N |
Product Overview
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate (CAS 874971-34-3), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-methylsulfanylbenzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate
The XLogP value of 3.25018 indicates that [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate has 0 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)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate is 874971-34-3.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate is C18H22N2O3S.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate is 346.14 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)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)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(methylsulfanyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.