1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one
TL;DR: 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one (CAS 57513-50-5) is a chemical compound with molecular formula C16H14FN3O and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-2-(methylamino)quinazolin-4-one
Also Known As: 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one, 1-[(4-fluorophenyl)methyl]-2-(methylamino)-1,4-dihydroquinazolin-4-one, 1-(4'-fluorobenzyl)-2-methylamino-quinazolin-4(1H)-one, 1-(4-fluorobenzyl)-2-(methylamino)-4(1H)-quinazolinone, 1-[(4-fluorophenyl)methyl]-2-methylamino-quinazolin-4-one
| Molecular Formula | C16H14FN3O |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.6256 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.1121 |
| Heavy Atoms | 21 |
| Complexity | 840.2602 |
Chemical Identifiers
| CAS Number | 57513-50-5 |
|---|---|
| SMILES | CNC1=NC(=O)C2=CC=CC=C2N1CC3=CC=C(C=C3)F |
Product Overview
1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one (CAS 57513-50-5), with molecular formula C16H14FN3O and molecular weight 283.11 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-2-(methylamino)quinazolin-4-one.
Chemical Property Profile of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one
Property Insights of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one
The XLogP value of 2.6256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 46.92 Ų, 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 3 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 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one?
The CAS number of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one is 57513-50-5.
What is the molecular formula of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one?
The molecular formula of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one is C16H14FN3O.
What is the molecular weight of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one?
The molecular weight of 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one is 283.11 g/mol.
Where can I buy 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one?
You can request a quote for 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzyl)-2-(methylamino)quinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.