![dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate structure](/static/products/1024/1024710-84-6.webp)
dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate
TL;DR: dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate (CAS 1024710-84-6) is a chemical compound with molecular formula C23H24N4O6S and molecular weight 484.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-(2-(3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl)acetamido)isophthalate, 1,3-DIMETHYL 5-{2-[3-OXO-1-(PHENYLCARBAMOTHIOYL)PIPERAZIN-2-YL]ACETAMIDO}BENZENE-1,3-DICARBOXYLATE, dimethyl 5-[[2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate, Dimethyl 5-[[2-[3-oxo-1-(phenylthiocarbamoyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C23H24N4O6S |
|---|---|
| Molecular Weight | 484.14 g/mol |
| LogP | 1.7858 |
| Topological Polar Surface Area | 126.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.14166 |
| Heavy Atoms | 34 |
| Complexity | 1073.6442 |
Chemical Identifiers
| CAS Number | 1024710-84-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3)C(=O)OC |
Product Overview
dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate (CAS 1024710-84-6), with molecular formula C23H24N4O6S and molecular weight 484.14 g/mol. IUPAC: dimethyl 5-[[2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate
Property Insights of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate
The XLogP value of 1.7858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate. The TPSA of 126.07 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate has 3 hydrogen bond donor(s) and 7 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 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate?
The CAS number of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate is 1024710-84-6.
What is the molecular formula of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate?
The molecular formula of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate is C23H24N4O6S.
What is the molecular weight of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate?
The molecular weight of dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate is 484.14 g/mol.
Where can I buy dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate?
You can request a quote for dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-({[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl}amino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.