![Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate structure](/static/products/4332/433249-76-4.webp)
Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
TL;DR: Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate (CAS 433249-76-4) is a chemical compound with molecular formula C16H23N3O3S and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: Ethyl 4-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]benzoate, ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate, ethyl 4-(4-(2-hydroxyethyl)piperazine-1-carbothioamido)benzoate, ETHYL 4-{[4-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOTHIOYL]AMINO}BENZOATE
| Molecular Formula | C16H23N3O3S |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 1.17 |
| Topological Polar Surface Area | 65.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.14603 |
| Heavy Atoms | 23 |
| Complexity | 527.87695 |
Chemical Identifiers
| CAS Number | 433249-76-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCO |
Product Overview
Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate (CAS 433249-76-4), with molecular formula C16H23N3O3S and molecular weight 337.15 g/mol. IUPAC: ethyl 4-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Property Insights of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
The XLogP value of 1.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate. The TPSA of 65.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate has 2 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-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate is 433249-76-4.
What is the molecular formula of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate is C16H23N3O3S.
What is the molecular weight of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate is 337.15 g/mol.
Where can I buy Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.