![Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate structure](/static/products/7261/726166-70-7.webp)
Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate
TL;DR: Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate (CAS 726166-70-7) is a chemical compound with molecular formula C21H24FN3O2S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino]benzoate
Also Known As: A3747/0158829, ETHYL 4-({[4-(4-FLUOROANILINO)PIPERIDINO]CARBOTHIOYL}AMINO)BENZOATE, ethyl 4-(4-((4-fluorophenyl)amino)piperidine-1-carbothioamido)benzoate, ethyl 4-[[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino]benzoate, ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate
| Molecular Formula | C21H24FN3O2S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 4.2757 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.15732 |
| Heavy Atoms | 28 |
| Complexity | 803.40533 |
Chemical Identifiers
| CAS Number | 726166-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC3=CC=C(C=C3)F |
Product Overview
Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate (CAS 726166-70-7), with molecular formula C21H24FN3O2S and molecular weight 401.16 g/mol. IUPAC: ethyl 4-[[4-(4-fluoroanilino)piperidine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate
Property Insights of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate
The XLogP value of 4.2757 indicates that Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate 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-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate has 2 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 Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate?
The CAS number of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate is 726166-70-7.
What is the molecular formula of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate?
The molecular formula of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate is C21H24FN3O2S.
What is the molecular weight of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate?
The molecular weight of Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate is 401.16 g/mol.
Where can I buy Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate?
You can request a quote for Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({4-[(4-fluorophenyl)amino]piperidin-1-yl}carbonothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.