Pyridoclax

CAT: 0607-BA3347-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3347-100Size:100 mg

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CAS Number

1651890-44-6

Form

A solid

Molecular Formula

C29H22N4

Molecular Weight

426.51

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Pyridoclax

CAS Number	1651890-44-6
PubChem CID	92042827
IUPAC Name	2-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
Molecular Formula	C29H22N4
Molecular Weight	426.5
XLogP	5.2
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	615

SMILES

CC1=CC(=CN=C1C2=CN=CC=C2)C3=C(C=C(C=N3)C4=CN=CC=C4)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H22N4/c1-21-15-27(20-32-28(21)25-10-6-14-31-18-25)29-23(12-11-22-7-3-2-4-8-22)16-26(19-33-29)24-9-5-13-30-17-24/h2-20H,1H3/b12-11+

InChIKey

WGGSYXQFYRWBEC-VAWYXSNFSA-N

Chemical Structure

2D Structure

CAS: 1651890-44-6

CID: 92042827

Formula: C29H22N4

MW: 426.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	426.18444672
Monoisotopic Mass	426.18444672
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	615
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes