3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone
TL;DR: 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone (CAS 152062-96-9) is a chemical compound with molecular formula C9H6F3N3O and molecular weight 229.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2-(trifluoromethyl)quinazolin-4-one
Also Known As: 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone, 3-amino-2-(trifluoromethyl)-3,4-dihydroquinazolin-4-one, 3-amino-2-(trifluoromethyl)quinazolin-4-one, 3-Amino-2-(trifluoromethyl)quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-amino-2-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.0463 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)C(F)(F)F)N |
| InChIKey | VPEPFURGPALIFC-UHFFFAOYSA-N |
Chemical Property Profile of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone
Property Insights of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 58.7 Ų, 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone?
The CAS number of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone is 152062-96-9.
What is the molecular formula of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone?
The molecular formula of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone is C9H6F3N3O.
What is the molecular weight of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone?
The molecular weight of 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone is 229.0463 g/mol.
Where can I buy 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone?
You can request a quote for 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone?
Yes, CoreyChem provides custom synthesis services for 3-amino-2-(trifluoromethyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.