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Povorcitinib

CAT: 0607-BA4899-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4899-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1637677-22-5
Form
A solid
Molecular Formula
C23H22F5N7O
Molecular Weight
507.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Povorcitinib

Povorcitinib is under investigation in clinical trial NCT06113445 (A Study to Evaluate Efficacy and Safety of Povorcitinib in Participants With Nonsegmental Vitiligo (STOP-V1)).

CAS Number1637677-22-5
PubChem CID86280672
IUPAC Name4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
Molecular FormulaC23H22F5N7O
Molecular Weight507.5
XLogP3.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity860
SMILES
CC1=C(C(=NN1)C)C2=CN(N=C2)C3(CN(C3)C4=C(C=C(C(=C4)F)C(=O)N[C@@H](C)C(F)(F)F)F)CC#N
InChI
InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1
InChIKey
MSGYSFWCPOBHEV-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Povorcitinib
CAS: 1637677-22-5
CID: 86280672
Formula: C23H22F5N7O
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass507.18059916
Monoisotopic Mass507.18059916
Topological Polar Surface Area103 Ų
Heavy Atom Count36
Formal Charge0
Complexity860
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

Alternative Products

CatalogName
T39113-01Povorcitinib
HY-145588SPovorcitinib-d6
BUP07508-01Povorcitinib phosphate
HY-145588A-01Povorcitinib (phosphate)

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