methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590353-45-0) is a chemical compound with molecular formula C24H24ClN3O2S2 and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate, methyl 2-({[4-(2-chlorobenzyl)piperazin-1-yl]carbonothioyl}amino)-5-phenylthiophene-3-carboxylate, methyl 2-[({4-[(2-chlorophenyl)methyl]piperazinyl}thioxomethyl)amino]-5-phenyl thiophene-3-carboxylate, methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C24H24ClN3O2S2 |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 5.3697 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.09985 |
| Heavy Atoms | 32 |
| Complexity | 1095.6335 |
Chemical Identifiers
| CAS Number | 590353-45-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4Cl |
Product Overview
methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590353-45-0), with molecular formula C24H24ClN3O2S2 and molecular weight 485.10 g/mol. IUPAC: methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 5.3697 indicates that methyl 2-(4-(2-chlorobenzyl)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, methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(4-(2-chlorobenzyl)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 methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate is 590353-45-0.
What is the molecular formula of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate is C24H24ClN3O2S2.
What is the molecular weight of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate is 485.10 g/mol.
Where can I buy methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for methyl 2-(4-(2-chlorobenzyl)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 methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(2-chlorobenzyl)piperazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.