PGN36

CAT: 0013-GTR19187147-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19187147-03Size:100 mg

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

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Description

PGN36

CAS Number

1564253-75-3

Field of Research

Pharmacology & Drug Discovery

Smiles

O (CC1CCCCC1) C=2C=3C (N (CC4=CC=CC=C4) N2) =CC=C (N (=O) =O) C3

Molecular Formula

C21H23N3O3

Molecular Weight

365.43

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 76328790

CAS Number	1564253-75-3
PubChem CID	76328790
IUPAC Name	1-benzyl-3-(cyclohexylmethoxy)-5-nitroindazole
Molecular Formula	C21H23N3O3
Molecular Weight	365.4
XLogP	5.7
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	486

SMILES

C1CCC(CC1)COC2=NN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c25-24(26)18-11-12-20-19(13-18)21(27-15-17-9-5-2-6-10-17)22-23(20)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14-15H2

InChIKey

VLMJWSVJQMZYSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1564253-75-3

CID: 76328790

Formula: C21H23N3O3

MW: 365.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.4
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	365.17394160
Monoisotopic Mass	365.17394160
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	486
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
BA5226-5	PGN36