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KDM2B-IN-4

CAT: 0607-BA4799-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4799-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1966933-85-6
Form
A solid
Molecular Formula
C24H28N2O2
Molecular Weight
376.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Kdm2B-IN-4
CAS Number1966933-85-6
PubChem CID121479197
IUPAC Name2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
Molecular FormulaC24H28N2O2
Molecular Weight376.5
XLogP4.3
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity607
SMILES
C[C@H]1CCN(C[C@H]1C(=O)C2=CC3=C(C=C2)C(=C(C=C3)OC)CC#N)C4CCC4
InChI
InChI=1S/C24H28N2O2/c1-16-11-13-26(19-4-3-5-19)15-22(16)24(27)18-6-8-20-17(14-18)7-9-23(28-2)21(20)10-12-25/h6-9,14,16,19,22H,3-5,10-11,13,15H2,1-2H3/t16-,22+/m0/s1
InChIKey
BJDGGDWQTYWFQS-KSFYIVLOSA-N
Chemical Structure
2D Structure
2D structure of Kdm2B-IN-4
CAS: 1966933-85-6
CID: 121479197
Formula: C24H28N2O2
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass376.215078140
Monoisotopic Mass376.215078140
Topological Polar Surface Area53.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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