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Amgen-23

CAT: 0607-BA6262-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6262-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448706-15-7
Form
A solid
Molecular Formula
C23H25Cl2N3O2S
Molecular Weight
478.43
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Amgen-23
CAS Number1448706-15-7
PubChem CID71627420
IUPAC Name(2R,4S)-1-[2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
Molecular FormulaC23H25Cl2N3O2S
Molecular Weight478.4
XLogP5.3
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity555
SMILES
C1CN([C@H](C[C@H]1O)CO)CCC2=CC=C(C=C2)NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H25Cl2N3O2S/c24-20-6-3-16(11-21(20)25)22-14-31-23(27-22)26-17-4-1-15(2-5-17)7-9-28-10-8-19(30)12-18(28)13-29/h1-6,11,14,18-19,29-30H,7-10,12-13H2,(H,26,27)/t18-,19+/m1/s1
InChIKey
SQJKFWCRPARYPY-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of Amgen-23
CAS: 1448706-15-7
CID: 71627420
Formula: C23H25Cl2N3O2S
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass477.1044536
Monoisotopic Mass477.1044536
Topological Polar Surface Area96.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity555
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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