ELQ-300 100mg

CAT: 0628-A21234-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A21234-100Size:100 mg

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

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CAS Number

1354745-52-0

Chemical Information

Elq-300

structure in first source

CAS Number	1354745-52-0
PubChem CID	67016608
IUPAC Name	6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
Molecular Formula	C24H17ClF3NO4
Molecular Weight	475.8
XLogP	6.9
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	730

SMILES

CC1=C(C(=O)C2=CC(=C(C=C2N1)OC)Cl)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(31-2)12-20(18)29-13)14-3-5-15(6-4-14)32-16-7-9-17(10-8-16)33-24(26,27)28/h3-12H,1-2H3,(H,29,30)

InChIKey

WZDNKHCQIZRDKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1354745-52-0

CID: 67016608

Formula: C24H17ClF3NO4

MW: 475.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	475.8
XLogP3	6.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	475.0798202
Monoisotopic Mass	475.0798202
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	730
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