Roxadustat Impurity 86

CAT: 1299-RM-R152486-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-R152486-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

1450657-43-8

Synonyms

(S) -4- (1-azido-2- (methylsulfonyl) ethyl) -2-ethoxy-1-methoxybenzene

Molecular Formula

C12H17N3O4S

Molecular Weight

299.35

Target Alternative Name

Roxadustat

Product Name Synonym

(S) -4- (1-azido-2- (methylsulfonyl) ethyl) -2-ethoxy-1-methoxybenzene

Chemical Information

(S)-4-(1-azido-2-(methylsulfonyl)ethyl)-2-ethoxy-1-methoxybenzene

CAS Number	1450657-43-8
PubChem CID	86693821
IUPAC Name	4-[(1S)-1-azido-2-methylsulfonylethyl]-2-ethoxy-1-methoxybenzene
Molecular Formula	C12H17N3O4S
Molecular Weight	299.35
XLogP	2.5
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	442

SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N=[N+]=[N-])OC

InChI

InChI=1S/C12H17N3O4S/c1-4-19-12-7-9(5-6-11(12)18-2)10(14-15-13)8-20(3,16)17/h5-7,10H,4,8H2,1-3H3/t10-/m1/s1

InChIKey

DOWRHPDZRGIQKB-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 1450657-43-8

CID: 86693821

Formula: C12H17N3O4S

MW: 299.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.35
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	299.09397721
Monoisotopic Mass	299.09397721
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	442
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