Evobrutinib 500mg

CAT: 0628-A16824-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A16824-500Size:500 mg

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CAS Number

1415823-73-2

Chemical Information

Evobrutinib

Evobrutinib is under investigation in clinical trial NCT03934502 (Effect of Meal Composition and Timing on Evobrutinib Bioavailability).

CAS Number	1415823-73-2
PubChem CID	71479709
IUPAC Name	1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
Molecular Formula	C25H27N5O2
Molecular Weight	429.5
XLogP	4.2
Topological Polar Surface Area	93.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	595

SMILES

C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)

InChIKey

QUIWHXQETADMGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1415823-73-2

CID: 71479709

Formula: C25H27N5O2

MW: 429.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	429.5
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	429.21647512
Monoisotopic Mass	429.21647512
Topological Polar Surface Area	93.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	595
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
B2379-25	Evobrutinib
HY-101215R	Evobrutinib (Standard)
CS-EO-02641	N-Nitroso Evobrutinib
00574-11168	Welchrom C18E/PSA/C18E, 500mg/500mg/500mg/6mL, 30pcs/pk
005PM-004-30	Welchrom C18/PSA/C18, 500mg/500mg/500mg/6mL, 30pcs/pk
PPCBC18060L500GA	500mg/6ml

Evobrutinib 500mg

Chemical Information

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