![dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate structure](/static/products/7082/708285-11-4.webp)
dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
TL;DR: dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate (CAS 708285-11-4) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-(4-(3-hydroxyphenyl)piperazine-1-carbothioamido)isophthalate, dimethyl 5-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 2.4844 |
| Topological Polar Surface Area | 91.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 923.1581 |
Chemical Identifiers
| CAS Number | 708285-11-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C(=O)OC |
Product Overview
dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate (CAS 708285-11-4), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: dimethyl 5-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
Property Insights of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
The XLogP value of 2.4844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate. The TPSA of 91.34 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate has 2 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-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate?
The CAS number of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate is 708285-11-4.
What is the molecular formula of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate?
The molecular formula of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate is C21H23N3O5S.
What is the molecular weight of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate?
The molecular weight of dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate is 429.14 g/mol.
Where can I buy dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate?
You can request a quote for dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}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-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.