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Bay 65-1942 2mg

CAT: 0628-A11339-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A11339-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
600734-02-9

Chemical Information

Bay65-1942 free base
CAS Number600734-02-9
PubChem CID135454904
IUPAC Name7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-piperidin-3-yl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
Molecular FormulaC22H25N3O4
Molecular Weight395.5
XLogP2.5
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity586
SMILES
C1C[C@H](CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O
InChI
InChI=1S/C22H25N3O4/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27)/t14-/m1/s1
InChIKey
IGJVFGZEWDGDOO-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Bay65-1942 free base
CAS: 600734-02-9
CID: 135454904
Formula: C22H25N3O4
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass395.18450629
Monoisotopic Mass395.18450629
Topological Polar Surface Area92.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity586
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

Related Products

CatalogName
A11338-2Bay 65-1942 HCl 2mg
A11339-100Bay 65-1942 100mg
A11339-25Bay 65-1942 25mg
A11339-10Bay 65-1942 10mg
A11339-50Bay 65-1942 50mg
A11339-5Bay 65-1942 5mg
A11338-25Bay 65-1942 HCl 25mg
A11338-10Bay 65-1942 HCl 10mg
A11338-100Bay 65-1942 HCl 100mg
A11338-50Bay 65-1942 HCl 50mg

Alternative Products

CatalogName
MBS3605233-01Bay 65-1942
T14508-01Bay 65-1942 hydrochloride
HY-50948-01Bay 65-1942 (hydrochloride)
MBS386713-01Bay 65-1942 HCl
A3230-2Bay 65-1942 HCl salt
HY-50949Bay 65-1942 (free base)
T10472-01Bay 65-1942 (R form)
MBS3605882-01Bay 65-1942 R form
MBS5766133Bay 65-1942 free base
T205535-01BI-1942

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