AKR1C3-IN-9

CAT: 0127-BUP13474-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13474-01Size:10 mg

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

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CAS Number

2924824-43-9

Purity

=98%

Smiles

CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3OC

Chemical Information

Akr1C3-IN-9

CAS Number	2924824-43-9
PubChem CID	166449413
IUPAC Name	2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxyphenyl)benzamide
Molecular Formula	C20H20N2O4
Molecular Weight	352.4
XLogP	3.4
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	461

SMILES

CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H20N2O4/c1-13-16(14(2)26-22-13)12-25-18-10-6-4-8-15(18)20(23)21-17-9-5-7-11-19(17)24-3/h4-11H,12H2,1-3H3,(H,21,23)

InChIKey

JUPXIAWRJFYWOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2924824-43-9

CID: 166449413

Formula: C20H20N2O4

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	352.14230712
Monoisotopic Mass	352.14230712
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	461
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
BUP14585-01	AKR1C3-IN-4
BUP11207-01	AKR1C3-IN-1
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OR1062050-01	9,9'-Bicarbazole
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