![dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate structure](/static/products/830/830349-65-0.png)
dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate
TL;DR: dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate (CAS 830349-65-0) is a chemical compound with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate, Dimethyl 2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-(4-(4-methoxyphenyl)piperazine-1-carbothioamido)terephthalate, methyl 4-(methoxycarbonyl)-3-({[4-(4-methoxyphenyl)piperazinyl]thioxomethyl}am ino)benzoate, 1,4-DIMETHYL 2-{[4-(4-METHOXYPHENYL)PIPERAZINE-1-CARBOTHIOYL]AMINO}BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C22H25N3O5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 2.7874 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1515 |
| Heavy Atoms | 31 |
| Complexity | 956.1188 |
Chemical Identifiers
| CAS Number | 830349-65-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate (CAS 830349-65-0), with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol. IUPAC: dimethyl 2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate
Property Insights of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate
The XLogP value of 2.7874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate has 1 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 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
The CAS number of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate is 830349-65-0.
What is the molecular formula of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
The molecular formula of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate is C22H25N3O5S.
What is the molecular weight of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
The molecular weight of dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate is 443.15 g/mol.
Where can I buy dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
You can request a quote for dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate 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-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.