RefChem:1097773
TL;DR: RefChem:1097773 (CAS 129112-68-1) is a chemical compound with molecular formula C24H26N4O5 and molecular weight 450.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;4-(4-methylphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Also Known As: 2-(4-Methyl-1-piperazinyl)-4-p-tolyloxyquinazoline fumarate, Quinazoline, 4-(4-methylphenoxy)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate) (1:1), (E)-but-2-enedioic acid; 4-(4-methylphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Technical Specifications
| Molecular Formula | C24H26N4O5 |
| Molecular Weight | 450.1903 g/mol |
| XLogP | 3.19412 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1903 Da |
| Heavy Atoms | 33 |
| Complexity | 537.0 |
| SMILES | CC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XNJKOHWMNRRRDB-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1097773
Property Insights of RefChem:1097773
The XLogP value of 3.19412 indicates that RefChem:1097773 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:1097773. Following Lipinski's Rule of Five, RefChem:1097773 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:1097773?
The CAS number of RefChem:1097773 is 129112-68-1.
What is the molecular formula of RefChem:1097773?
The molecular formula of RefChem:1097773 is C24H26N4O5.
What is the molecular weight of RefChem:1097773?
The molecular weight of RefChem:1097773 is 450.1903 g/mol.
Where can I buy RefChem:1097773?
You can request a quote for RefChem:1097773 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097773?
Yes, CoreyChem provides custom synthesis services for RefChem:1097773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.