RefChem:1097758
TL;DR: RefChem:1097758 (CAS 129664-21-7) is a chemical compound with molecular formula C25H34N4O5 and molecular weight 470.25293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-[4-[(E)-but-2-enyl]piperazin-1-yl]-4-pentoxyquinazoline
Also Known As: 2-(2-Butenyl-1-piperazinyl)-4-pentoxyquinazoline fumarate, Quinazoline, 2-(4-(2-butenyl)-1-piperazinyl)-4-(pentyloxy)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-[(E)-but-2-enyl]piperazin-1-yl]-4-pentoxyquinazoline
Technical Specifications
| Molecular Formula | C25H34N4O5 |
| Molecular Weight | 470.25293 g/mol |
| XLogP | 3.6087 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.25293 Da |
| Heavy Atoms | 34 |
| Complexity | 541.0 |
| SMILES | CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C/C=C/C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | YYNBOGPLJRRVSR-ZATGLBTGSA-N |
Chemical Property Profile of RefChem:1097758
Property Insights of RefChem:1097758
The XLogP value of 3.6087 indicates that RefChem:1097758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097758. Following Lipinski's Rule of Five, RefChem:1097758 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:1097758?
The CAS number of RefChem:1097758 is 129664-21-7.
What is the molecular formula of RefChem:1097758?
The molecular formula of RefChem:1097758 is C25H34N4O5.
What is the molecular weight of RefChem:1097758?
The molecular weight of RefChem:1097758 is 470.25293 g/mol.
Where can I buy RefChem:1097758?
You can request a quote for RefChem:1097758 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097758?
Yes, CoreyChem provides custom synthesis services for RefChem:1097758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.