Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)
TL;DR: Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) (CAS 129664-13-7) is a chemical compound with molecular formula C46H60N8O12S2 and molecular weight 980.3772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris((E)-but-2-enedioic acid);bis(4-butylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline)
Also Known As: 4-(Butylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate (2:3), Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3), 2-(4-Butyl-1-piperazinyl)-4-pentyloxyquinazoline fumarate, (E)-but-2-enedioic acid; 4-butylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline, 4-Butylsulfanyl-2-(4-methyl-piperazin-1-yl)-quinazoline; compound with (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C46H60N8O12S2 |
| Molecular Weight | 980.3772 g/mol |
| XLogP | 5.683 |
| Topological Polar Surface Area (TPSA) | 339.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 16 |
| Exact Mass | 980.3772 Da |
| Heavy Atoms | 68 |
| Complexity | 452.0 |
| SMILES | CCCCSC1=NC(=NC2=CC=CC=C12)N3CCN(CC3)C.CCCCSC1=NC(=NC2=CC=CC=C12)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JUZBCSNRZBHPGL-VQYXCCSOSA-N |
Chemical Property Profile of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)
Property Insights of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)
The XLogP value of 5.683 indicates that Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 339.0 Ų indicates high polarity, suggesting Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)?
The CAS number of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) is 129664-13-7.
What is the molecular formula of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)?
The molecular formula of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) is C46H60N8O12S2.
What is the molecular weight of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)?
The molecular weight of Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) is 980.3772 g/mol.
Where can I buy Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)?
You can request a quote for Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)?
Yes, CoreyChem provides custom synthesis services for Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.