5-LOX-IN-1

CAT: 0127-BUP06270-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06270-01Size:5 mg

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

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CAS Number

55040-82-9

Purity

=95%

Smiles

O=C(c1sc(nc1-c1ccccc1)N1CCOCC1)c1ccccc1

Chemical Information

5-Lox-IN-1

CAS Number	55040-82-9
PubChem CID	2354998
IUPAC Name	(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
Molecular Formula	C20H18N2O2S
Molecular Weight	350.4
XLogP	4.4
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	443

SMILES

C1COCCN1C2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O2S/c23-18(16-9-5-2-6-10-16)19-17(15-7-3-1-4-8-15)21-20(25-19)22-11-13-24-14-12-22/h1-10H,11-14H2

InChIKey

LHLMRDAASBJJEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55040-82-9

CID: 2354998

Formula: C20H18N2O2S

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	350.10889899
Monoisotopic Mass	350.10889899
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	443
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

Catalog	Name
BUP15557-01	5-LOX inhibitor
BUP05272-01	5-LOX-IN-2
BUP09551-01	LOX-IN-3 dihydrochloride
BUP06098-01	12R-LOX-IN-2
PC109916	1,1,1,5,5,5-Hexafluoroacetylacetone
PC450178-01	1,1,1,5,5,5-Hexafluoropentane
OR1009000	1,1,1,3,5,5,5-Heptamethyltrisiloxane
PC3806	1,1,1,3,5,5,5-Heptafluoroacetylacetone dihydrate
OR1053448-01	1,1,3,3,5,5-Hexamethyl-1,5-diphenyltrisiloxane
OR1068853-01	1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane