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IDH889

CAT: 0926-EHC17907-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EHC17907-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1429179-07-6
Smiles
CC1=C (C=CC (=C1) C2=CN=C (N=C2) C (C) NC3=NC=CC (=N3) N4C (COC4=O) C (C) C) F
Molecular Formula
C23H25FN6O2
Molecular Weight
436.5 g/mol
Controlled
No

Chemical Information

(S)-3-(2-(((S)-1-(5-(4-Fluoro-3-methylphenyl)pyrimidin-2-YL)ethyl)amino)pyrimidin-4-YL)-4-isopropyloxazolidin-2-one
CAS Number1429179-07-6
PubChem CID71542286
IUPAC Name(4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
Molecular FormulaC23H25FN6O2
Molecular Weight436.5
XLogP4.1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity632
SMILES
CC1=C(C=CC(=C1)C2=CN=C(N=C2)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C)F
InChI
InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1
InChIKey
JDCYIMQAIKEACU-HNAYVOBHSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(2-(((S)-1-(5-(4-Fluoro-3-methylphenyl)pyrimidin-2-YL)ethyl)amino)pyrimidin-4-YL)-4-isopropyloxazolidin-2-one
CAS: 1429179-07-6
CID: 71542286
Formula: C23H25FN6O2
MW: 436.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight436.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass436.20230222
Monoisotopic Mass436.20230222
Topological Polar Surface Area93.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity632
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

Alternative Products

CatalogName
BA7853-5IDH889
A19578-50IDH889 50mg
A19578-1IDH889 1mg
A19578-10IDH889 10mg
A19578-100IDH889 100mg
HY-112289B-01(1R) -IDH889
A19578-25IDH889 25mg
A19578-5IDH889 5mg
A19578-10mM-DIDH889 10mM * 1mL in DMSO

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