![Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate structure](/static/products/892/892269-52-2.png)
Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
TL;DR: Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate (CAS 892269-52-2) 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.
methyl 2-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate, Methyl 2-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate, methyl 2-({[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonothioyl}amino)benzoate
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.60904 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 845.07043 |
Chemical Identifiers
| CAS Number | 892269-52-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC |
Product Overview
Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate (CAS 892269-52-2), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: methyl 2-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
Property Insights of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
The XLogP value of 3.60904 indicates that Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]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, Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]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 Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate?
The CAS number of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate is 892269-52-2.
What is the molecular formula of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate?
The molecular formula of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate is C21H25N3O2S.
What is the molecular weight of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate?
The molecular weight of Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate is 383.17 g/mol.
Where can I buy Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate?
You can request a quote for Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate 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-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.