![Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate structure](/static/products/6649/664969-12-4.webp)
Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate
TL;DR: Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate (CAS 664969-12-4) is a chemical compound with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: AJ-292/41694467, ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate, ethyl 4-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzoate, ethyl 4-({[4-(oxolan-2-ylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate, ethyl 4-(4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamido)benzoate
| Molecular Formula | C19H25N3O4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 1.8833 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1566 |
| Heavy Atoms | 27 |
| Complexity | 680.70013 |
Chemical Identifiers
| CAS Number | 664969-12-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 |
Product Overview
Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate (CAS 664969-12-4), with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol. IUPAC: ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate
Property Insights of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate
The XLogP value of 1.8833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate has 1 hydrogen bond donor(s) and 5 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-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate?
The CAS number of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate is 664969-12-4.
What is the molecular formula of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate?
The molecular formula of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate is C19H25N3O4S.
What is the molecular weight of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate?
The molecular weight of Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate is 391.16 g/mol.
Where can I buy Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate?
You can request a quote for Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]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-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.