2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
TL;DR: 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one (CAS 1788-98-3) is a chemical compound with molecular formula C16H11F3N2O and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Also Known As: 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one, BAS 00012305, 2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one, 4(3H)-Quinazolinone, 2-methyl-3-[3-(trifluoromethyl)phenyl]-, 2-methyl-3-(3-(trifluoromethyl)phenyl)quinazolin-4(3h)-one
| Molecular Formula | C16H11F3N2O |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.08234 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
| Solubility | 43.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1788-98-3 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | YNDPTKFEXLQGTM-UHFFFAOYSA-N |
Product Overview
2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one (CAS 1788-98-3), with molecular formula C16H11F3N2O and molecular weight 304.08 g/mol. IUPAC: 2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
Chemical Property Profile of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
Property Insights of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
The XLogP value of 3.0 indicates that 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one has 0 hydrogen bond donor(s) and 5 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 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one?
The CAS number of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one is 1788-98-3.
What is the molecular formula of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one?
The molecular formula of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one is C16H11F3N2O.
What is the molecular weight of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one?
The molecular weight of 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one is 304.08 g/mol.
Where can I buy 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one?
You can request a quote for 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.