XAP044

CAT: 0127-BUP03687-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03687-04Size:25 mg

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

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CAS Number

196928-50-4

Purity

=95%

Smiles

OC1=CC2=C(C=C1)C(=O)C(OC1=CC=C(I)C=C1)=CO2

Chemical Information

7-hydroxy-3-(4-iodophenoxy)-4H-chromen-4-one

Glutamate Receptor Antagonists

CAS Number	196928-50-4
PubChem CID	5428913
IUPAC Name	7-hydroxy-3-(4-iodophenoxy)chromen-4-one
Molecular Formula	C15H9IO4
Molecular Weight	380.13
XLogP	3.6
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	401

SMILES

C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)I

InChI

InChI=1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H

InChIKey

XXZKJJYWINSUMJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 196928-50-4

CID: 5428913

Formula: C15H9IO4

MW: 380.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.13
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	379.95456
Monoisotopic Mass	379.95456
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	401
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
M27492-01	XAP044
WHA92850-01	MGlu7 Antagonist, XAP044