Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate
TL;DR: Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate (CAS 1022367-69-6) is a chemical compound with molecular formula C15H19Cl2N3O2S and molecular weight 375.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]piperidine-1-carboxylate
Also Known As: Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate, ethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]piperidine-1-carboxylate, TT01001; TT-01001; TT 01001, Ethyl4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate, Ethyl 4-[(3,5-dichlorophenyl)thiocarbamoylamino]piperidine-1-carboxylate
| Molecular Formula | C15H19Cl2N3O2S |
|---|---|
| Molecular Weight | 375.06 g/mol |
| LogP | 3.9007 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.0575 |
| Heavy Atoms | 23 |
| Complexity | 557.59045 |
Chemical Identifiers
| CAS Number | 1022367-69-6 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=CC(=C2)Cl)Cl |
Product Overview
Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate (CAS 1022367-69-6), with molecular formula C15H19Cl2N3O2S and molecular weight 375.06 g/mol. IUPAC: ethyl 4-[(3,5-dichlorophenyl)carbamothioylamino]piperidine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate
Property Insights of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate
The XLogP value of 3.9007 indicates that Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate has 2 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 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate?
The CAS number of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate is 1022367-69-6.
What is the molecular formula of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate?
The molecular formula of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate is C15H19Cl2N3O2S.
What is the molecular weight of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate?
The molecular weight of Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate is 375.06 g/mol.
Where can I buy Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate?
You can request a quote for Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(3,5-dichlorophenyl)thioureido)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.