Apalutamide Impurity 48

CAT: 1596-AR-A06717-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-A06717-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

1513700-34-9

Molecular Formula

C8H13NO4

Molecular Weight

187.20

API Name

Apalutamide

Chemical Information

1-((Ethoxycarbonyl)amino)cyclobutane-1-carboxylic acid

CAS Number	1513700-34-9
PubChem CID	81164845
IUPAC Name	1-(ethoxycarbonylamino)cyclobutane-1-carboxylic acid
Molecular Formula	C8H13NO4
Molecular Weight	187.19
XLogP	0.6
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	222

SMILES

CCOC(=O)NC1(CCC1)C(=O)O

InChI

InChI=1S/C8H13NO4/c1-2-13-7(12)9-8(6(10)11)4-3-5-8/h2-5H2,1H3,(H,9,12)(H,10,11)

InChIKey

XDCIIWGJIMGLIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1513700-34-9

CID: 81164845

Formula: C8H13NO4

MW: 187.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.19
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	187.08445790
Monoisotopic Mass	187.08445790
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222
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-A04711-01	Apalutamide Impurity 12
AR-A04705-01	Apalutamide Impurity 6
AR-A04704-01	Apalutamide Impurity 5
AR-A06718-01	Apalutamide Impurity 49
AR-A06728-01	Apalutamide Impurity 37
AR-A06695-01	Apalutamide Impurity 25
AR-A06690-01	Apalutamide Impurity 16
AR-A06689-01	Apalutamide Impurity 15
AR-A04796-01	Apalutamide Ester Impurity
AR-A06687-01	Apalutamide Desfluoro Impurity