2-Fluoro-6-(1-trityl-4-imidazolyl)benzaldehyde - CAS 1402838-09-8

Name: 2-Fluoro-6-(1-trityl-4-imidazolyl)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009055
Product Name:	2-Fluoro-6-(1-trityl-4-imidazolyl)benzaldehyde
CAS:	1402838-09-8
Synonyms:	2-fluoro-6-[1-(triphenylmethyl)-4-imidazolyl]benzaldehyde; 2-fluoro-6-(1-tritylimidazol-4-yl)benzaldehyde

Technical Data

IUPAC Name:	2-fluoro-6-(1-tritylimidazol-4-yl)benzaldehyde
Description:	2-Fluoro-6-(1-trityl-4-imidazolyl)benzaldehyde (CAS# 1402838-09-8) is a useful research chemical.
Molecular Weight:	432.49
Molecular Formula:	C29H21FN2O
Canonical SMILES:	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=C(C(=CC=C5)F)C=O
InChI:	InChI=1S/C29H21FN2O/c30-27-18-10-17-25(26(27)20-33)28-19-32(21-31-28)29(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-21H
InChI Key:	SRVOKSJOOBNPGR-UHFFFAOYSA-N
LogP:	6.34190

Publication Number	Title	Priority Date
US-2018127418-A1	Heterocycles useful as ido and tdo inhibitors	20150412
AU-2016222140-B2	Fused-ring compounds, pharmaceutical composition and uses thereof	20150216
US-10202388-B2	Fused-ring compounds, pharmaceutical composition and uses thereof	20150216
US-2018022752-A1	Fused-ring compounds, pharmaceutical composition and uses thereof	20150216
WO-2016131380-A1	Fused-ring compounds, pharmaceutical composition and uses thereof	20150216

Complexity:	578
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	432.16379146
Formal Charge:	0
Heavy Atom Count:	33
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	432.16379146
Rotatable Bond Count:	6
Topological Polar Surface Area:	34.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6