![3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one structure](/static/products/845/84546-41-8.png)
3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one
TL;DR: 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one (CAS 84546-41-8) is a chemical compound with molecular formula C22H16BrN3O and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(benzylideneamino)phenyl]-6-bromo-2-methylquinazolin-4-one
Also Known As: Boronic acid, (3-methyl-2-benzofuranyl)-, 3-[4-(benzylideneamino)phenyl]-6-bromo-2-methylquinazolin-4-one, (E)-3-(4-(Benzylideneamino)phenyl)-6-bromo-2-methylquinazolin-4(3H)-one, 3-[4-(benzylideneamino)phenyl]-6-bromo-2-methylquinazolin-4-, 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one
| Molecular Formula | C22H16BrN3O |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.04767 |
| Heavy Atoms | 27 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 84546-41-8 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N=CC4=CC=CC=C4 |
| InChIKey | WJTLFMBAFYSQJM-UHFFFAOYSA-N |
Product Overview
3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one (CAS 84546-41-8), with molecular formula C22H16BrN3O and molecular weight 417.05 g/mol. IUPAC: 3-[4-(benzylideneamino)phenyl]-6-bromo-2-methylquinazolin-4-one.
Chemical Property Profile of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one
Property Insights of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one
The XLogP value of 4.1 indicates that 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.0 Ų, 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one has 0 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-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one?
The CAS number of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one is 84546-41-8.
What is the molecular formula of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one?
The molecular formula of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one is C22H16BrN3O.
What is the molecular weight of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one?
The molecular weight of 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one is 417.05 g/mol.
Where can I buy 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one?
You can request a quote for 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(E)-Benzylideneamino]phenyl}-6-bromo-2-methylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.