2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate
TL;DR: 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate (CAS 524057-87-2) is a chemical compound with molecular formula C16H27N3O2S2 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate
Also Known As: 2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate, [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate, 1-(2-{[CYCLOHEXYL(METHYL)CARBAMOTHIOYL]SULFANYL}ACETYL)PIPERIDINE-4-CARBOXAMIDE, 1-{2-[(cyclohexylmethylamino)thioxomethylthio]acetyl}piperidine-4-carboxamide, Cyclohexyl-methyl-dithiocarbamic acid 2-(4-carbamoyl-piperidin-1-yl)-2-oxo-ethyl ester
| Molecular Formula | C16H27N3O2S2 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 1.9929 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.15448 |
| Heavy Atoms | 23 |
| Complexity | 444.6063 |
Chemical Identifiers
| CAS Number | 524057-87-2 |
|---|---|
| SMILES | CN(C1CCCCC1)C(=S)SCC(=O)N2CCC(CC2)C(=O)N |
Product Overview
2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate (CAS 524057-87-2), with molecular formula C16H27N3O2S2 and molecular weight 357.15 g/mol. IUPAC: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate.
Chemical Property Profile of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate
Property Insights of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate
The XLogP value of 1.9929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate. Following Lipinski's Rule of Five, 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate 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 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
The CAS number of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is 524057-87-2.
What is the molecular formula of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
The molecular formula of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is C16H27N3O2S2.
What is the molecular weight of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
The molecular weight of 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is 357.15 g/mol.
Where can I buy 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
You can request a quote for 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl cyclohexyl(methyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.