4-(4-Methoxyphenyl)-1-(2H)-phthalazinone - CAS 57353-93-2

Catalog:	BB029657
Product Name:	4-(4-Methoxyphenyl)-1-(2H)-phthalazinone
CAS:	57353-93-2
Synonyms:	4-(4-methoxyphenyl)-2H-phthalazin-1-one

Technical Data

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Computed Properties

IUPAC Name:	4-(4-methoxyphenyl)-2H-phthalazin-1-one
Description:	4-(4-Methoxyphenyl)-1-(2H)-phthalazinone (CAS# 57353-93-2) is a useful research chemical.
Molecular Weight:	252.27
Molecular Formula:	C15H12N2O2
Canonical SMILES:	COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32
InChI:	InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
InChI Key:	RYLLTTFNKPGBNO-UHFFFAOYSA-N
Density:	1.25 g/cm³
MDL:	MFCD02660689
LogP:	2.59870

Publication Number	Title	Priority Date
CN-111542515-A	TOLL-like receptor 8(TLR8) specific antagonist and preparation method and application thereof	20171030
US-2021179621-A1	Toll-Like Receptor 8 (TLR8) Specific Antagonists and Methods of Making and Uses Thereof	20171030
KR-101207420-B1	Phthalazinone derivatives containing aryl piperidine substituents, or pharmaceutically acceptable salts thereof, preparation method therof and pharmaceutical composition	20100830
KR-20120034829-A	Phthalaginone derivative containing an aryl piperidine group or a pharmaceutically acceptable salt thereof, preparation method thereof and a pharmaceutical composition comprising the same as an active ingredient	20100830
EP-2504317-A1	Potassium channel modulators	20091125

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	372
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.089877630
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.089877630
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6