![4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester structure](/static/products/3337/333758-55-7.webp)
4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester
TL;DR: 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester (CAS 333758-55-7) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-benzylpiperazine-1-carbothioyl)amino]benzoate
Also Known As: ethyl nyl-1-cyclohexene-1-carbothioamide, BAS 03058303, 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester, AJ-292/40706433, ethyl 4-[(4-benzylpiperazine-1-carbothioyl)amino]benzoate
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.3779 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 756.756 |
Chemical Identifiers
| CAS Number | 333758-55-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester (CAS 333758-55-7), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: ethyl 4-[(4-benzylpiperazine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester
Property Insights of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester
The XLogP value of 3.3779 indicates that 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester has 1 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 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester?
The CAS number of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester is 333758-55-7.
What is the molecular formula of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester?
The molecular formula of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester is C21H25N3O2S.
What is the molecular weight of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester?
The molecular weight of 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester is 383.17 g/mol.
Where can I buy 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester?
You can request a quote for 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Benzyl-piperazine-1-carbothioyl)-amino]-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.