4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-
TL;DR: 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- (CAS 73832-09-4) is a chemical compound with molecular formula C16H13F2N3O and molecular weight 301.10266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2-(difluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-, 5-25-15-00103 (Beilstein Handbook Reference), 6-Amino-2-difluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone, 6-amino-2-(difluoromethyl)-3-(2-methylphenyl)quinazolin-4-one, 6-Amino-2-(difluoromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one
Technical Specifications
| Molecular Formula | C16H13F2N3O |
| Molecular Weight | 301.10266 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.10266 Da |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)N)N=C2C(F)F |
| InChIKey | RSHMKFILJONIAR-UHFFFAOYSA-N |
Chemical Property Profile of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-
Property Insights of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-. With a topological polar surface area (TPSA) of 58.7 Ų, 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-?
The CAS number of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- is 73832-09-4.
What is the molecular formula of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-?
The molecular formula of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- is C16H13F2N3O.
What is the molecular weight of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-?
The molecular weight of 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- is 301.10266 g/mol.
Where can I buy 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-?
You can request a quote for 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)-?
Yes, CoreyChem provides custom synthesis services for 4(3H)-Quinazolinone, 6-amino-2-difluoromethyl-3-(o-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.