ML375

CAT: 0607-BA5514-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA5514-5.1Size:1 mL (10 mM in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1488362-55-5

Form

A solid

Molecular Formula

C23H15ClF2N2O2

Molecular Weight

424.83

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

ML375

CAS Number	1488362-55-5
PubChem CID	71598521
IUPAC Name	(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular Formula	C23H15ClF2N2O2
Molecular Weight	424.8
XLogP	4.3
Topological Polar Surface Area	40.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	30
Formal Charge	0
Complexity	701

SMILES

C1CN([C@]2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1

InChIKey

GXBAKXRLQAPKEE-QHCPKHFHSA-N

Chemical Structure

2D Structure

CAS: 1488362-55-5

CID: 71598521

Formula: C23H15ClF2N2O2

MW: 424.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	424.8
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	424.0790117
Monoisotopic Mass	424.0790117
Topological Polar Surface Area	40.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	701
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NJC36255-01	ML375
HY-12567A-01	(R) -ML375