(Rac) -VU 6008667 1mg

CAT: 0628-A21939-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A21939-1Size:1 mg

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CAS Number

2092917-63-8

Chemical Information

(Rac)-VU 6008667

CAS Number	2092917-63-8
PubChem CID	137640100
IUPAC Name	9b-(4-chloro-3-methylphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular Formula	C24H17ClF2N2O2
Molecular Weight	438.9
XLogP	4.7
Topological Polar Surface Area	40.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	31
Formal Charge	0
Complexity	738

SMILES

CC1=C(C=CC(=C1)C23C4=CC=CC=C4C(=O)N2CCN3C(=O)C5=CC(=C(C=C5)F)F)Cl

InChI

InChI=1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3

InChIKey

XMSLRELXMCKGCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2092917-63-8

CID: 137640100

Formula: C24H17ClF2N2O2

MW: 438.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	438.9
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	438.0946618
Monoisotopic Mass	438.0946618
Topological Polar Surface Area	40.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	738
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M33096-01	(Rac) -VU 6008667
MBS5753801	(Rac)-VU 6008667
SID92321-01	VU 6008667
HY-101281R	VU 6008667 (Standard)
HY-101281B-01	(R) -VU 6008667
MBS5753782	(R)-VU 6008667
HY-101281BR	(R) -VU 6008667 (Standard)
AR-E10828-01	Rac-Etrasimod (rac-APD334)
AR-E10084-01	Rac-Adrenaline-d3 (rac-Epinephrine-d3)
AR-E10089-01	Rac-Epinephrine-d6 (rac-Adrenaline-d6)