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Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid structure
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Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid

TL;DR: Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid (CAS 1008999-12-9) is a chemical compound with molecular formula C17H12F3N3O2 and molecular weight 347.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid

Also Known As: phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid, 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic Acid, F3099-5836, 2-phenyl-2-((2-(trifluoromethyl)quinazolin-4-yl)amino)acetic acid, 2-phenyl-2-{[2-(trifluoromethyl)quinazolin-4-yl]amino}acetic acid

CAS Number
1008999-12-9
Molecular Formula
C17H12F3N3O2
Molecular Weight
347.08817 g/mol
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Technical Specifications

Molecular FormulaC17H12F3N3O2
Molecular Weight347.08817 g/mol
XLogP4.1
Topological Polar Surface Area (TPSA)75.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors8
Rotatable Bonds4
Exact Mass347.08817 Da
Heavy Atoms25
Complexity469.0
SMILESC1=CC=C(C=C1)C(C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F
InChIKeyZPSCGBCFUMEHEO-UHFFFAOYSA-N

Chemical Property Profile of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid

XLogP
4.1
TPSA (Topological Polar Surface Area)
75.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
4
Heavy Atoms
25
Complexity
469.0
Exact Mass
347.08817
Monoisotopic Mass
347.08817
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid

The XLogP value of 4.1 indicates that Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid. Following Lipinski's Rule of Five, Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid?

The CAS number of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is 1008999-12-9.

What is the molecular formula of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid?

The molecular formula of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is C17H12F3N3O2.

What is the molecular weight of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid?

The molecular weight of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is 347.08817 g/mol.

Where can I buy Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid?

You can request a quote for Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid?

Yes, CoreyChem provides custom synthesis services for Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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