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AUT1

CAT: 0127-BUP04115-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04115-06Size:500 mg
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CAS Number
1311136-84-1
Purity
=98%
Smiles
CC[C@H]1NC(=O)N(C1=O)c1ccc(Oc2ccc(C)c(OC)c2)nc1

Chemical Information

(5R)-5-Ethyl-3-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2,4-imidazolidinedione
CAS Number1311136-84-1
PubChem CID53230344
IUPAC Name(5R)-5-ethyl-3-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]imidazolidine-2,4-dione
Molecular FormulaC18H19N3O4
Molecular Weight341.4
XLogP2.8
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity501
SMILES
CC[C@@H]1C(=O)N(C(=O)N1)C2=CN=C(C=C2)OC3=CC(=C(C=C3)C)OC
InChI
InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKey
AMAOXEGBJHLCSF-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (5R)-5-Ethyl-3-[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]-2,4-imidazolidinedione
CAS: 1311136-84-1
CID: 53230344
Formula: C18H19N3O4
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass341.13755610
Monoisotopic Mass341.13755610
Topological Polar Surface Area80.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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BA6880-100AUT1
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A18648-1AUT1 1mg
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A18648-10AUT1 10mg
A18648-50AUT1 50mg
A18648-25AUT1 25mg
A18648-10mM-DAUT1 10mM * 1mL in DMSO
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