![Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate structure](/static/products/4333/433315-49-2.webp)
Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate
TL;DR: Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate (CAS 433315-49-2) is a chemical compound with molecular formula C20H23N3O2S and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-phenylpiperazine-1-carbothioyl)amino]benzoate
Also Known As: ethyl 4-(4-phenylpiperazine-1-carbothioamido)benzoate, ethyl 4-[(4-phenylpiperazine-1-carbothioyl)amino]benzoate, ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate, ETHYL 4-(4-PHENYLPIPERAZINE-1-CARBOTHIOYLAMINO)BENZOATE, ethyl 4-{[(4-phenylpiperazin-1-yl)carbonothioyl]amino}benzoate
| Molecular Formula | C20H23N3O2S |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | 3.3823 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1511 |
| Heavy Atoms | 26 |
| Complexity | 741.41144 |
Chemical Identifiers
| CAS Number | 433315-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate (CAS 433315-49-2), with molecular formula C20H23N3O2S and molecular weight 369.15 g/mol. IUPAC: ethyl 4-[(4-phenylpiperazine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate
Property Insights of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate
The XLogP value of 3.3823 indicates that Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate 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 Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate?
The CAS number of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate is 433315-49-2.
What is the molecular formula of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate is C20H23N3O2S.
What is the molecular weight of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate is 369.15 g/mol.
Where can I buy Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]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-phenylpiperazinyl)thioxomethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(4-phenylpiperazinyl)thioxomethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.