3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one (CAS 404932-08-7) is a chemical compound with molecular formula C21H17FN2O and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv3_002981, BAS 02499681, 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one, BRD-A92449131-001-01-5, 3-Benzyl-2-(3-fluoro-phenyl)-2,3-dihydro-1H-quinazolin-4-one
| Molecular Formula | C21H17FN2O |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 4.5924 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.13248 |
| Heavy Atoms | 25 |
| Complexity | 910.5343 |
Chemical Identifiers
| CAS Number | 404932-08-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)F |
Product Overview
3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one (CAS 404932-08-7), with molecular formula C21H17FN2O and molecular weight 332.13 g/mol. IUPAC: 3-benzyl-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 4.5924 indicates that 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 2 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-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one is 404932-08-7.
What is the molecular formula of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one is C21H17FN2O.
What is the molecular weight of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one is 332.13 g/mol.
Where can I buy 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-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 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-(3-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.