![Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate structure](/static/products/712/712301-89-8.png)
Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate (CAS 712301-89-8) is a chemical compound with molecular formula C10H18N2O2S and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(methylcarbamothioyl)piperidine-4-carboxylate
Also Known As: ethyl 1-(methylcarbamothioyl)piperidine-4-carboxylate, Ethyl 1-(methylthiocarbamoyl)piperidine-4-carboxylate, ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate, 1-Methylthiocarbamoyl-piperidine-4-carboxylic acid ethyl ester
| Molecular Formula | C10H18N2O2S |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 0.7658 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.1089 |
| Heavy Atoms | 15 |
| Complexity | 237.57689 |
Chemical Identifiers
| CAS Number | 712301-89-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=S)NC |
Product Overview
Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate (CAS 712301-89-8), with molecular formula C10H18N2O2S and molecular weight 230.11 g/mol. IUPAC: ethyl 1-(methylcarbamothioyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate
The XLogP value of 0.7658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate has 1 hydrogen bond donor(s) and 3 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 Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate is 712301-89-8.
What is the molecular formula of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate is C10H18N2O2S.
What is the molecular weight of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate is 230.11 g/mol.
Where can I buy Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(methylamino)thioxomethyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.