Roxadustat Impurity 68

CAT: 1299-RM-R152468-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R152468-02Size:25 mg

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CAS Number

2222121-34-6

Synonyms

Ethyl 5- (2- (1-butoxyvinyl) -4-phenoxyphenyl) oxazole-4-carboxylate

Molecular Formula

C24H25NO5

Molecular Weight

407.47

Target Alternative Name

Roxadustat

Product Name Synonym

Ethyl 5- (2- (1-butoxyvinyl) -4-phenoxyphenyl) oxazole-4-carboxylate

Chemical Information

Ethyl 5-(2-(1-butoxyvinyl)-4-phenoxyphenyl)oxazole-4-carboxylate

CAS Number	2222121-34-6
PubChem CID	134408067
IUPAC Name	ethyl 5-[2-(1-butoxyethenyl)-4-phenoxyphenyl]-1,3-oxazole-4-carboxylate
Molecular Formula	C24H25NO5
Molecular Weight	407.5
XLogP	5.9
Topological Polar Surface Area	70.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	30
Formal Charge	0
Complexity	548

SMILES

CCCCOC(=C)C1=C(C=CC(=C1)OC2=CC=CC=C2)C3=C(N=CO3)C(=O)OCC

InChI

InChI=1S/C24H25NO5/c1-4-6-14-28-17(3)21-15-19(30-18-10-8-7-9-11-18)12-13-20(21)23-22(25-16-29-23)24(26)27-5-2/h7-13,15-16H,3-6,14H2,1-2H3

InChIKey

PADRAWGDNUEUGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2222121-34-6

CID: 134408067

Formula: C24H25NO5

MW: 407.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	407.5
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	407.17327290
Monoisotopic Mass	407.17327290
Topological Polar Surface Area	70.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	548
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