A-196

CAT: 0127-BUP05604-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05604-06Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1982372-88-2

Synonyms

A 196

Purity

=98%

Smiles

Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl

Chemical Information

6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine

CAS Number	1982372-88-2
PubChem CID	117072548
IUPAC Name	6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
Molecular Formula	C18H16Cl2N4
Molecular Weight	359.2
XLogP	4.5
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	412

SMILES

C1CCC(C1)NC2=NN=C(C3=CC(=C(C=C32)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)

InChIKey

ABGOSOMRWSYAOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1982372-88-2

CID: 117072548

Formula: C18H16Cl2N4

MW: 359.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.2
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	358.0752019
Monoisotopic Mass	358.0752019
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	412
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP21577-01	ABI-1968
BUP13810-01	AL 1965
PC7953-01	SpectraSynQ PFPE-1960
BUP12165-01	ABI-1968 PM
BAL6552	Influenza A H3N2 (A/Aichi/2/1968) Nucleoprotein / NP Protein (C-His Tag), 1 pack = 100 µg
BAL6551	Influenza A H3N2 (A/Aichi/2/1968) Hemagglutinin / HA Protein (ECD, C-His Tag), 1 pack = 100 µg
BAL6553	Influenza A H3N2 (A/Hong Kong/1/1968) Hemagglutinin / HA Protein (ECD, C-His Tag), 1 pack = 100 µg