RefChem:1097769
TL;DR: RefChem:1097769 (CAS 129112-66-9) is a chemical compound with molecular formula C24H26N4O6 and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-(3-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Also Known As: 4-(3-Methoxyphenoxy)-2-(4-methyl-1-piperazinyl)quinazoline fumarate, Quinazoline, 4-(3-methoxyphenoxy)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-(3-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline, RefChem:1097769
| Molecular Formula | C24H26N4O6 |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 2.8943 |
| Topological Polar Surface Area | 125.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.18524 |
| Heavy Atoms | 34 |
| Complexity | 1159.0918 |
Chemical Identifiers
| CAS Number | 129112-66-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC(=C4)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097769 (CAS 129112-66-9), with molecular formula C24H26N4O6 and molecular weight 466.19 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(3-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline.
Chemical Property Profile of RefChem:1097769
Property Insights of RefChem:1097769
The XLogP value of 2.8943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097769. The TPSA of 125.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097769. Following Lipinski's Rule of Five, RefChem:1097769 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097769?
The CAS number of RefChem:1097769 is 129112-66-9.
What is the molecular formula of RefChem:1097769?
The molecular formula of RefChem:1097769 is C24H26N4O6.
What is the molecular weight of RefChem:1097769?
The molecular weight of RefChem:1097769 is 466.19 g/mol.
Where can I buy RefChem:1097769?
You can request a quote for RefChem:1097769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.