ADX71743

CAT: 0607-BA5594-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5594-10Size:10 mg

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

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CAS Number

1431641-29-0

Molecular Formula

C17H19NO2

Molecular Weight

269.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Adx71743

an mGlu7 negative allosteric modulator; structure in first source

CAS Number	1431641-29-0
PubChem CID	53391766
IUPAC Name	6-(2,4-dimethylphenyl)-2-ethyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Molecular Formula	C17H19NO2
Molecular Weight	269.34
XLogP	3.8
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	370

SMILES

CCC1=NC2=C(O1)CC(CC2=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3

InChIKey

CPKZCQHJDFSOJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1431641-29-0

CID: 53391766

Formula: C17H19NO2

MW: 269.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.34
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	269.141578849
Monoisotopic Mass	269.141578849
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	370
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

Catalog	Name
GTR19198293-01	ADX71743