CK-869

CAT: 0127-BUP10312-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10312-04Size:50 mg

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

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CAS Number

388592-44-7

Purity

=98%

Smiles

COc1ccc(N2C(SCC2=O)c2cccc(Br)c2)c(OC)c1

Chemical Information

2-(3-Bromophenyl)-3-(2,4-dimethoxyphenyl)-4-thiazolidinone

CAS Number	388592-44-7
PubChem CID	3574452
IUPAC Name	2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
Molecular Formula	C17H16BrNO3S
Molecular Weight	394.3
XLogP	4
Topological Polar Surface Area	64.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	425

SMILES

COC1=CC(=C(C=C1)N2C(SCC2=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C17H16BrNO3S/c1-21-13-6-7-14(15(9-13)22-2)19-16(20)10-23-17(19)11-4-3-5-12(18)8-11/h3-9,17H,10H2,1-2H3

InChIKey

MVWNPZYLNLATCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 388592-44-7

CID: 3574452

Formula: C17H16BrNO3S

MW: 394.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.3
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	393.00343
Monoisotopic Mass	393.00343
Topological Polar Surface Area	64.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes