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Posaconazole Impurity 322

CAT: 1299-RM-P190622-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P190622-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2376724-98-8
Synonyms
(R) -2-fluoro-5-methyl-N- (4- (4- (morpholin-2-ylmethoxy) -1H-pyrazolo[3,4-d]pyrimidin-6-yl) phenyl) benzenesulfonamide
Molecular Formula
C23H23FN6O4S
Molecular Weight
498.53
Target Alternative Name
C16H28N6O3

Chemical Information

2-fluoro-5-methyl-N-[4-[4-[[(2R)-morpholin-2-yl]methoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CAS Number2376724-98-8
PubChem CID146014827
IUPAC Name2-fluoro-5-methyl-N-[4-[4-[[(2R)-morpholin-2-yl]methoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
Molecular FormulaC23H23FN6O4S
Molecular Weight498.5
XLogP2.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity795
SMILES
CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=N3)OC[C@H]5CNCCO5
InChI
InChI=1S/C23H23FN6O4S/c1-14-2-7-19(24)20(10-14)35(31,32)30-16-5-3-15(4-6-16)21-27-22-18(12-26-29-22)23(28-21)34-13-17-11-25-8-9-33-17/h2-7,10,12,17,25,30H,8-9,11,13H2,1H3,(H,26,27,28,29)/t17-/m1/s1
InChIKey
UAVUYSNDFXWICV-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of 2-fluoro-5-methyl-N-[4-[4-[[(2R)-morpholin-2-yl]methoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CAS: 2376724-98-8
CID: 146014827
Formula: C23H23FN6O4S
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass498.14855257
Monoisotopic Mass498.14855257
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity795
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

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