SNG-1153 50mg

CAT: 0628-A22222-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A22222-50Size:50 mg

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CAS Number

1446712-19-1

Chemical Information

Sng-1153

antineoplastic that inhibits growth of lung cancer stem/progenitor cells

CAS Number	1446712-19-1
PubChem CID	71621167
IUPAC Name	3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-[4-(trifluoromethyl)phenyl]chromen-4-one
Molecular Formula	C21H17F3O5
Molecular Weight	406.4
XLogP	5.7
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	687

SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)C(F)(F)F)O)C

InChI

InChI=1S/C21H17F3O5/c1-10(2)3-8-13-14(25)9-15(26)16-17(27)18(28)19(29-20(13)16)11-4-6-12(7-5-11)21(22,23)24/h3-7,9,25-26,28H,8H2,1-2H3

InChIKey

OXHMDMVBLQNMGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446712-19-1

CID: 71621167

Formula: C21H17F3O5

MW: 406.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.4
XLogP3	5.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	406.10280812
Monoisotopic Mass	406.10280812
Topological Polar Surface Area	87 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	687
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