![Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate structure](/static/products/831/831243-98-2.png)
Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate
TL;DR: Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate (CAS 831243-98-2) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(4-phenylpiperazine-1-carbothioamido)terephthalate, dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate, 1,4-DIMETHYL 2-[(4-PHENYLPIPERAZINE-1-CARBOTHIOYL)AMINO]BENZENE-1,4-DICARBOXYLATE, dimethyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(4-phenylpiperazin-1-yl)carbonothioyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.7788 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 896.05414 |
Chemical Identifiers
| CAS Number | 831243-98-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate (CAS 831243-98-2), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: dimethyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate
Property Insights of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate
The XLogP value of 2.7788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate 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-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate?
The CAS number of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate is 831243-98-2.
What is the molecular formula of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate?
The molecular formula of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate is C21H23N3O4S.
What is the molecular weight of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate?
The molecular weight of Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate is 413.14 g/mol.
Where can I buy Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate?
You can request a quote for Dimethyl 2-{[(4-phenyl-1-piperazinyl)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-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.