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Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate (CAS 708295-50-5) is a chemical compound with molecular formula C17H24N2O2S and molecular weight 320.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate
Also Known As: ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate, ethyl 1-((2,3-dimethylphenyl)carbamothioyl)piperidine-4-carboxylate, ETHYL 1-[(2,3-DIMETHYLANILINO)CARBOTHIOYL]-4-PIPERIDINECARBOXYLATE, ethyl 1-{[(2,3-dimethylphenyl)amino]carbonothioyl}-4-piperidinecarboxylate, ethyl 1-{[(2,3-dimethylphenyl)amino]thioxomethyl}piperidine-4-carboxylate
| Molecular Formula | C17H24N2O2S |
|---|---|
| Molecular Weight | 320.16 g/mol |
| LogP | 3.27534 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.15585 |
| Heavy Atoms | 22 |
| Complexity | 551.58997 |
Chemical Identifiers
| CAS Number | 708295-50-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=CC(=C2C)C |
Product Overview
Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate (CAS 708295-50-5), with molecular formula C17H24N2O2S and molecular weight 320.16 g/mol. IUPAC: ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate
The XLogP value of 3.27534 indicates that Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]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-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate is 708295-50-5.
What is the molecular formula of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate is C17H24N2O2S.
What is the molecular weight of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate is 320.16 g/mol.
Where can I buy Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]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-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(2,3-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.