Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)
TL;DR: Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) (CAS 129664-12-6) is a chemical compound with molecular formula C19H24N4O4S and molecular weight 404.15182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;4-ethylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline
Also Known As: 4-(Ethylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate, Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-ethylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline
Technical Specifications
| Molecular Formula | C19H24N4O4S |
| Molecular Weight | 404.15182 g/mol |
| XLogP | 2.2054 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.15182 Da |
| Heavy Atoms | 28 |
| Complexity | 425.0 |
| SMILES | CCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | KHPRIDOEFCGQBZ-WLHGVMLRSA-N |
Chemical Property Profile of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)
Property Insights of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)
The XLogP value of 2.2054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1). The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)?
The CAS number of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) is 129664-12-6.
What is the molecular formula of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)?
The molecular formula of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) is C19H24N4O4S.
What is the molecular weight of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)?
The molecular weight of Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) is 404.15182 g/mol.
Where can I buy Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)?
You can request a quote for Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Quinazoline, 4-(ethylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.