Autophinib 500mg

CAT: 0628-A17241-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A17241-500Size:500 mg

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

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CAS Number

1644443-47-9

Chemical Information

Autophinib

CAS Number	1644443-47-9
PubChem CID	129626605
IUPAC Name	6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine
Molecular Formula	C14H11ClN6O3
Molecular Weight	346.73
XLogP	3.8
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	431

SMILES

CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)

InChIKey

CEUMAXLRGBKFQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1644443-47-9

CID: 129626605

Formula: C14H11ClN6O3

MW: 346.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.73
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	346.0581159
Monoisotopic Mass	346.0581159
Topological Polar Surface Area	122 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	431
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
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