BF738735

CAT: 0127-BUP00285-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00285-02Size:2 mg

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

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CAS Number

1436383-95-7

Purity

=90%

Smiles

Cc1nc2c(NCc3cccc(c3)S(C)(=O)=O)nccn2c1-c1ccc(O)c(F)c1

Chemical Information

2-Fluoro-4-(2-methyl-8-((3-(methylsulfonyl)benzyl)amino)imidazo[1,2-a]pyrazin-3-yl)phenol

CAS Number	1436383-95-7
PubChem CID	135742054
IUPAC Name	2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
Molecular Formula	C21H19FN4O3S
Molecular Weight	426.5
XLogP	3.5
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	690

SMILES

CC1=C(N2C=CN=C(C2=N1)NCC3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)O)F

InChI

InChI=1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24)

InChIKey

IMHZCCZYPHJVMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1436383-95-7

CID: 135742054

Formula: C21H19FN4O3S

MW: 426.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	426.11618982
Monoisotopic Mass	426.11618982
Topological Polar Surface Area	105 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	690
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
HY-U00426-01	BF738735