CK-548

CAT: 0926-NQA60455-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-NQA60455-03Size:100 mg

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

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CAS Number

388604-55-5

MDL Number

MFCD01844273

Smiles

C1C (=O) N (C (S1) C2=CC (=CC=C2) Br) C3=C (C=CC (=C3) Cl) O

Molecular Formula

C15H11BrClNO2S

Molecular Weight

384.68 g/mol

Controlled

Chemical Information

CK-548

CAS Number	388604-55-5
PubChem CID	4384081
IUPAC Name	2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
Molecular Formula	C15H11BrClNO2S
Molecular Weight	384.7
XLogP	4.3
Topological Polar Surface Area	65.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	400

SMILES

C1C(=O)N(C(S1)C2=CC(=CC=C2)Br)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2

InChIKey

KEGQNJITMFBVAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 388604-55-5

CID: 4384081

Formula: C15H11BrClNO2S

MW: 384.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.7
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	382.93824
Monoisotopic Mass	382.93824
Topological Polar Surface Area	65.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	400
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