RefChem:1097764
TL;DR: RefChem:1097764 (CAS 129664-11-5) is a chemical compound with molecular formula C25H28N4O5 and molecular weight 464.20596 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-(2-phenylethoxy)quinazoline
Also Known As: 2-(4-Methyl-1-piperazinyl)-4-phenethyloxyquinazoline fumarate, Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(2-phenylethoxy)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-phenethyloxyquinazoline
Technical Specifications
| Molecular Formula | C25H28N4O5 |
| Molecular Weight | 464.20596 g/mol |
| XLogP | 2.7149 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.20596 Da |
| Heavy Atoms | 34 |
| Complexity | 539.0 |
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
| InChIKey | OFKGFFCLZFRUGT-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1097764
Property Insights of RefChem:1097764
The XLogP value of 2.7149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097764. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097764. Following Lipinski's Rule of Five, RefChem:1097764 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:1097764?
The CAS number of RefChem:1097764 is 129664-11-5.
What is the molecular formula of RefChem:1097764?
The molecular formula of RefChem:1097764 is C25H28N4O5.
What is the molecular weight of RefChem:1097764?
The molecular weight of RefChem:1097764 is 464.20596 g/mol.
Where can I buy RefChem:1097764?
You can request a quote for RefChem:1097764 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097764?
Yes, CoreyChem provides custom synthesis services for RefChem:1097764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.