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AVE1231

CAT: 0127-BUP03161-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03161-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
767334-89-4
Purity
=98%
Smiles
N(S(CCCC)(=O)=O)C1=C(C(N[C@H](CC)C=2C=CC(OC)=NC2)=O)C=CC=C1

Chemical Information

A-293
CAS Number767334-89-4
PubChem CID9844211
IUPAC Name2-(butylsulfonylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]benzamide
Molecular FormulaC20H27N3O4S
Molecular Weight405.5
XLogP3.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity578
SMILES
CCCCS(=O)(=O)NC1=CC=CC=C1C(=O)N[C@H](CC)C2=CN=C(C=C2)OC
InChI
InChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKey
BFQMQSIBOHOPCY-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of A-293
CAS: 767334-89-4
CID: 9844211
Formula: C20H27N3O4S
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass405.17222752
Monoisotopic Mass405.17222752
Topological Polar Surface Area106 Ų
Heavy Atom Count28
Formal Charge0
Complexity578
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

CatalogName
M36265-01AVE1231

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