ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590353-56-3) is a chemical compound with molecular formula C25H25Cl2N3O2S2 and molecular weight 533.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate, ethyl 2-({[4-(2,6-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)-5-phenylthiophene-3-carboxylate, ethyl 2-[({4-[(2,6-dichlorophenyl)methyl]piperazinyl}thioxomethyl)amino]-5-phe nylthiophene-3-carboxylate, ethyl 2-[[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C25H25Cl2N3O2S2 |
|---|---|
| Molecular Weight | 533.08 g/mol |
| LogP | 6.4132 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.07654 |
| Heavy Atoms | 34 |
| Complexity | 1141.9724 |
Chemical Identifiers
| CAS Number | 590353-56-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=C(C=CC=C4Cl)Cl |
Product Overview
ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590353-56-3), with molecular formula C25H25Cl2N3O2S2 and molecular weight 533.08 g/mol. IUPAC: ethyl 2-[[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 6.4132 indicates that ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate 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 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate is 590353-56-3.
What is the molecular formula of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate is C25H25Cl2N3O2S2.
What is the molecular weight of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate is 533.08 g/mol.
Where can I buy ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-(2,6-dichlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.