RefChem:1097766
TL;DR: RefChem:1097766 (CAS 129664-14-8) is a chemical compound with molecular formula C22H30N4O4S and molecular weight 446.1988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-(4-methylpiperazin-1-yl)-4-pentylsulfanylquinazoline
Also Known As: 2-(4-Methyl-1-piperazinyl)-4-(pentylthio)quinazoline fumarate, Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(pentylthio)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pentylsulfanylquinazoline
Technical Specifications
| Molecular Formula | C22H30N4O4S |
| Molecular Weight | 446.1988 g/mol |
| XLogP | 3.3757 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.1988 Da |
| Heavy Atoms | 31 |
| Complexity | 465.0 |
| SMILES | CCCCCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | QTJIXBPYAOPVRS-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1097766
Property Insights of RefChem:1097766
The XLogP value of 3.3757 indicates that RefChem:1097766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097766. Following Lipinski's Rule of Five, RefChem:1097766 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 RefChem:1097766?
The CAS number of RefChem:1097766 is 129664-14-8.
What is the molecular formula of RefChem:1097766?
The molecular formula of RefChem:1097766 is C22H30N4O4S.
What is the molecular weight of RefChem:1097766?
The molecular weight of RefChem:1097766 is 446.1988 g/mol.
Where can I buy RefChem:1097766?
You can request a quote for RefChem:1097766 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097766?
Yes, CoreyChem provides custom synthesis services for RefChem:1097766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.