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Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate
TL;DR: Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate (CAS 433255-80-2) is a chemical compound with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]benzoate
Also Known As: ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate, Ethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]benzoate, ethyl 4-(4-benzhydrylpiperazine-1-carbothioamido)benzoate, ETHYL 4-{[(4-BENZHYDRYLPIPERAZINO)CARBOTHIOYL]AMINO}BENZOATE, ethyl 4-({[4-(diphenylmethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
| Molecular Formula | C27H29N3O2S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 4.9673 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19806 |
| Heavy Atoms | 33 |
| Complexity | 1010.24414 |
Chemical Identifiers
| CAS Number | 433255-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate (CAS 433255-80-2), with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol. IUPAC: ethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate
Property Insights of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate
The XLogP value of 4.9673 indicates that Ethyl 4-({[4-(diphenylmethyl)piperazinyl]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-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-({[4-(diphenylmethyl)piperazinyl]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-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate?
The CAS number of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate is 433255-80-2.
What is the molecular formula of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate?
The molecular formula of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate is C27H29N3O2S.
What is the molecular weight of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate?
The molecular weight of Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate is 459.20 g/mol.
Where can I buy Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate?
You can request a quote for Ethyl 4-({[4-(diphenylmethyl)piperazinyl]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-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[4-(diphenylmethyl)piperazinyl]thioxomethyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.