6,7-dimethyl-2-phenylquinoxaline

• ChemBase ID: 131085
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: Cc1cc2c(cc1C)nc(cn2)c1ccccc1
• Canonical SMILES: Cc1cc2ncc(nc2cc1C)c1ccccc1
• InChI: InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: FQNCLVJEQCJWSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethyl-2-phenylquinoxaline
• IUPAC Traditional name: 6,7-dimethyl-2-phenylquinoxaline
• Synonyms: 6,7-dimethyl-2-phenylquinoxaline; 6,7-Dimethyl-2-phenylquinoxaline; Tyrphostin AG 1295

Database IDs

• CAS Number: 71897-07-9
• MDL Number: MFCD00270912
• PubChem SID: 162225363; 24900180
• PubChem CID: 2048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3588386
• LogD (pH = 7.4): 4.358995
• Log P: 4.358997
• Molar Refractivity: 72.297 cm^3
• Polarizability: 30.757029 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.328

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... EGFR(1956), FLT3(2322), PDGFRB(5159), SRC(6714)mouse ... Pdgfrb(18596)

Product Information

• Purity: ≥98%; 95%

DETAILS

Sigma Aldrich - T3932

Biochem/physiol Actions
Selective inhibitor of tyrosine kinase in platelet-derived growth factor (PDGF) receptor.