![Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate structure](/static/products/7178/717829-33-9.webp)
Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate
TL;DR: Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate (CAS 717829-33-9) is a chemical compound with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethoxybenzoate
Also Known As: methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate, methyl 2-(4-benzylpiperazine-1-carbothioamido)-4,5-dimethoxybenzoate, methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethoxybenzoate, methyl 2-{[(4-benzyl-1-piperazinyl)carbonothioyl]amino}-4,5-dimethoxybenzoate, methyl 2-{[(4-benzylpiperazin-1-yl)carbonothioyl]amino}-4,5-dimethoxybenzoate
| Molecular Formula | C22H27N3O4S |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 3.005 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.17224 |
| Heavy Atoms | 30 |
| Complexity | 883.4514 |
Chemical Identifiers
| CAS Number | 717829-33-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC |
Product Overview
Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate (CAS 717829-33-9), with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol. IUPAC: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate
Property Insights of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate
The XLogP value of 3.005 indicates that Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 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 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate?
The CAS number of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate is 717829-33-9.
What is the molecular formula of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate?
The molecular formula of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate is C22H27N3O4S.
What is the molecular weight of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate?
The molecular weight of Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate is 429.17 g/mol.
Where can I buy Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate?
You can request a quote for Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]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 Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethoxy-2-({[4-benzylpiperazinyl]thioxomethyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.