3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone
TL;DR: 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone (CAS 84546-40-7) is a chemical compound with molecular formula C15H12BrN3O and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)-6-bromo-2-methylquinazolin-4-one
Also Known As: NCI60_022607, Boronic acid, (3-methyl-2-benzofuranyl)-, 3-(4-Aminophenyl)-6-bromo-2-methylquinazolin-4(3H)-one, 3-(4-aminophenyl)-6-bromo-2-methylquinazolin-4-one, 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone
| Molecular Formula | C15H12BrN3O |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.01636 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 84546-40-7 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N |
| InChIKey | IKZNGMCVEWMUAH-UHFFFAOYSA-N |
Product Overview
3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone (CAS 84546-40-7), with molecular formula C15H12BrN3O and molecular weight 329.02 g/mol. IUPAC: 3-(4-aminophenyl)-6-bromo-2-methylquinazolin-4-one.
Chemical Property Profile of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone
Property Insights of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 58.7 Ų, 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone 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 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone?
The CAS number of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone is 84546-40-7.
What is the molecular formula of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone?
The molecular formula of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone is C15H12BrN3O.
What is the molecular weight of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone?
The molecular weight of 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone is 329.02 g/mol.
Where can I buy 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone?
You can request a quote for 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.