Roxadustat 7-Methyl Ester

CAT: 1596-AR-R11595-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-R11595-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

1421312-32-4

Synonyms

Methyl 4-hydroxy-1-oxo-7-phenoxy-1,2-dihydroisoquinoline-3-carboxylate

Molecular Formula

C17H13NO5

Molecular Weight

311.29

API Name

Roxadustat

Chemical Information

Methyl 1,4-dihydroxy-7-phenoxyisoquinoline-3-carboxylate

CAS Number	1421312-32-4
PubChem CID	71244894
IUPAC Name	methyl 4-hydroxy-1-oxo-7-phenoxy-2H-isoquinoline-3-carboxylate
Molecular Formula	C17H13NO5
Molecular Weight	311.29
XLogP	2.8
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	509

SMILES

COC(=O)C1=C(C2=C(C=C(C=C2)OC3=CC=CC=C3)C(=O)N1)O

InChI

InChI=1S/C17H13NO5/c1-22-17(21)14-15(19)12-8-7-11(9-13(12)16(20)18-14)23-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,18,20)

InChIKey

WPFRVDGFFDXCKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1421312-32-4

CID: 71244894

Formula: C17H13NO5

MW: 311.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.29
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	311.07937252
Monoisotopic Mass	311.07937252
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	509
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
AR-R11588-01	Roxadustat Methyl Ester Impurity
AR-R11593-01	Roxadustat Impurity 7
AR-R11610-01	Roxadustat
AR-C02681-01	7-keto methyl ester of glicocholate metabolite
AR-R11611-01	Roxadustat-d5
AR-R11589-01	Roxadustat Aziridine
AR-R11591-01	Roxadustat Impurity 5
AR-R11596-01	Roxadustat Impurity 10
AR-R11598-01	Roxadustat Impurity 12
AR-R11590-01	Roxadustat Impurity 4

Catalog	Name
TRC-R410460-500MG	Roxadustat Methyl Ester
CS-O-36276	Desmethyl Roxadustat ethyl ester
RM-R152407-01	Roxadustat Impurity 7
M39641	Secologanoside 7-Methyl Ester
TRC-O870160-500MG	7-Oxooctadecanoic Acid Methyl Ester
sc-337296	7-Aminoheptanoicacid methyl ester hydrochloride
013619	7-Hydroxy DAMPA Methyl Ester
OR315143-01	7-Oxoheptanoic acid methyl ester
439517	7-Bromoheptanoic Acid-d4 Methyl Ester
sc-218064	Daidzein 7-β-D-Glucuronide Methyl Ester