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Rimacalib

CAT: 0607-BA3643-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3643-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
215174-50-8
Form
A solid
Molecular Formula
C22H23FN4O2
Molecular Weight
394.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Rimacalib

Rimacalib has been used in trials studying the treatment of Rheumatoid Arthritis (RA).

CAS Number215174-50-8
PubChem CID9800765
IUPAC NameN'-[3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
Molecular FormulaC22H23FN4O2
Molecular Weight394.4
XLogP3.4
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity551
SMILES
C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)/N=C(\N)/N4CCOCC4
InChI
InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1
InChIKey
MYTIJGWONQOOLC-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Rimacalib
CAS: 215174-50-8
CID: 9800765
Formula: C22H23FN4O2
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass394.18050415
Monoisotopic Mass394.18050415
Topological Polar Surface Area76.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-R505015-10MGRimacalib
A20690-100Rimacalib 100mg
A20690-5Rimacalib 5mg
A20690-25Rimacalib 25mg
A20690-50Rimacalib 50mg
A20690-10Rimacalib 10mg
464726-01Rimacalib Morpholine D8

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