A 55453
TL;DR: A 55453 (CAS 89687-06-9) is a chemical compound with molecular formula C25H32N6O3 and molecular weight 464.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-aminophenyl)pentan-1-one
Also Known As: (125)I-A55453, 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-aminophenyl)pentan-1-one, Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(5-(4-aminophenyl)-1-oxopentyl)-, 4-Amino-6,7-dimethoxy-2-(4'-(5''-(3'''-(125)I-iodo-4'''-aminophenyl)pentanoyl)-1'-piperazinyl)quinazoline, 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-[5-(4-aminophenyl)-1-oxopentyl]piperazine
| Molecular Formula | C25H32N6O3 |
|---|---|
| Molecular Weight | 464.25 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.2536 |
| Heavy Atoms | 34 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 89687-06-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC=C(C=C4)N)N)OC |
| InChIKey | ASWMBQMBNVJRQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
A 55453 (CAS 89687-06-9), with molecular formula C25H32N6O3 and molecular weight 464.25 g/mol. IUPAC: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-aminophenyl)pentan-1-one.
Chemical Property Profile of A 55453
Property Insights of A 55453
The XLogP value of 3.1 indicates that A 55453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A 55453. Following Lipinski's Rule of Five, A 55453 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 A 55453?
The CAS number of A 55453 is 89687-06-9.
What is the molecular formula of A 55453?
The molecular formula of A 55453 is C25H32N6O3.
What is the molecular weight of A 55453?
The molecular weight of A 55453 is 464.25 g/mol.
Where can I buy A 55453?
You can request a quote for A 55453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 55453?
Yes, KEHONG BIO provides custom synthesis services for A 55453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.