![Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate structure](/static/products/831/831233-68-2.png)
Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate
TL;DR: Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate (CAS 831233-68-2) is a chemical compound with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-[(4-methylpiperazine-1-carbothioyl)amino]benzoate
Also Known As: methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate, methyl 4,5-dimethoxy-2-(4-methylpiperazine-1-carbothioamido)benzoate, methyl 4,5-dimethoxy-2-[(4-methylpiperazine-1-carbothioyl)amino]benzoate, methyl 4,5-dimethoxy-2-{[(4-methyl-1-piperazinyl)carbonothioyl]amino}benzoate, methyl 4,5-dimethoxy-2-{[(4-methylpiperazin-1-yl)carbonothioyl]amino}benzoate
| Molecular Formula | C16H23N3O4S |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 1.4346 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.14093 |
| Heavy Atoms | 24 |
| Complexity | 615.58527 |
Chemical Identifiers
| CAS Number | 831233-68-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC |
Product Overview
Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate (CAS 831233-68-2), with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol. IUPAC: methyl 4,5-dimethoxy-2-[(4-methylpiperazine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate
Property Insights of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate
The XLogP value of 1.4346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)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-methylpiperazinyl)thioxomethyl]amino}benzoate?
The CAS number of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate is 831233-68-2.
What is the molecular formula of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate?
The molecular formula of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate is C16H23N3O4S.
What is the molecular weight of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate?
The molecular weight of Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate is 353.14 g/mol.
Where can I buy Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate?
You can request a quote for Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)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-methylpiperazinyl)thioxomethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.