3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone
TL;DR: 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone (CAS 1789-02-2) is a chemical compound with molecular formula C16H10BrF3N2O and molecular weight 381.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(4-bromo-2-trifluoromethylphenyl)-2-methyl-, 5-24-03-00134 (Beilstein Handbook Reference), 3-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one, 2-Methyl-3-(4-bromo-2-trifluoromethylphenyl)-4(3H)-quinazolinone, 2-Methyl-3-(2'-trifluormethyl-4'-bromphenyl)chinazolon-(4)
| Molecular Formula | C16H10BrF3N2O |
|---|---|
| Molecular Weight | 381.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 381.99286 |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 1789-02-2 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Br)C(F)(F)F |
| InChIKey | HHTMAJKSXPMTHF-UHFFFAOYSA-N |
Product Overview
3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone (CAS 1789-02-2), with molecular formula C16H10BrF3N2O and molecular weight 381.99 g/mol. IUPAC: 3-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one.
Chemical Property Profile of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone
Property Insights of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone
The XLogP value of 3.7 indicates that 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone 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 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone?
The CAS number of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone is 1789-02-2.
What is the molecular formula of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone?
The molecular formula of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone is C16H10BrF3N2O.
What is the molecular weight of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone?
The molecular weight of 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone is 381.99 g/mol.
Where can I buy 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone?
You can request a quote for 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.