Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate
TL;DR: Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate (CAS 866151-16-8) is a chemical compound with molecular formula C13H10BrF3N2O3 and molecular weight 377.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate
Also Known As: methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)-3(4H)-quinazolinyl]acetate, methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate, methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)-3,4-dihydroquinazolin-3-yl]acetate, methyl2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)-3,4-dihydroquinazolin-3-yl]acetate
| Molecular Formula | C13H10BrF3N2O3 |
|---|---|
| Molecular Weight | 377.98 g/mol |
| LogP | 2.65922 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.9827 |
| Heavy Atoms | 22 |
| Complexity | 814.7532 |
Chemical Identifiers
| CAS Number | 866151-16-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)Br)N=C(N(C2=O)CC(=O)OC)C(F)(F)F |
Product Overview
Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate (CAS 866151-16-8), with molecular formula C13H10BrF3N2O3 and molecular weight 377.98 g/mol. IUPAC: methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate.
Chemical Property Profile of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate
Property Insights of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate
The XLogP value of 2.65922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate has 0 hydrogen bond donor(s) and 4 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 Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate?
The CAS number of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate is 866151-16-8.
What is the molecular formula of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate?
The molecular formula of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate is C13H10BrF3N2O3.
What is the molecular weight of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate?
The molecular weight of Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate is 377.98 g/mol.
Where can I buy Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate?
You can request a quote for Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[8-bromo-6-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.