![Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate structure](/static/products/5164/516459-47-5.webp)
Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate
TL;DR: Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate (CAS 516459-47-5) 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-[(3,5-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate
Also Known As: ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate, AJ-292/42034868, ethyl 1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate, ethyl 1-{[(3,5-dimethylphenyl)amino]thioxomethyl}piperidine-3-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 | 539.33997 |
Chemical Identifiers
| CAS Number | 516459-47-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=CC(=C2)C)C |
Product Overview
Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate (CAS 516459-47-5), with molecular formula C17H24N2O2S and molecular weight 320.16 g/mol. IUPAC: ethyl 1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate
Property Insights of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate
The XLogP value of 3.27534 indicates that Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate 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-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate 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-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate?
The CAS number of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate is 516459-47-5.
What is the molecular formula of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate?
The molecular formula of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate is C17H24N2O2S.
What is the molecular weight of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate?
The molecular weight of Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate is 320.16 g/mol.
Where can I buy Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate?
You can request a quote for Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(3,5-dimethylanilino)carbothioyl]-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.