![Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate structure](/static/products/831/831229-99-3.png)
Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
TL;DR: Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate (CAS 831229-99-3) is a chemical compound with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-(4-methylpiperazine-1-carbothioamido)terephthalate, 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester, dimethyl 2-{[(4-methyl-1-piperazinyl)carbonothioyl]amino}terephthalate, 1,4-DIMETHYL 2-[(4-METHYLPIPERAZINE-1-CARBOTHIOYL)AMINO]BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C16H21N3O4S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 1.204 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.12527 |
| Heavy Atoms | 24 |
| Complexity | 642.2097 |
Chemical Identifiers
| CAS Number | 831229-99-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate (CAS 831229-99-3), with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol. IUPAC: dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Property Insights of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
The XLogP value of 1.204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate 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 Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate is 831229-99-3.
What is the molecular formula of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate is C16H21N3O4S.
What is the molecular weight of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate is 351.13 g/mol.
Where can I buy Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.