Glycerol Impurity 11

CAT: 1596-AR-G02616-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02616-01Size:10 Units

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CAS Number

1443417-10-4

Synonyms

3-Hydroxypropane-1,2-diyl bis (4-phenylbutanoate)

Molecular Formula

C23H28O5

Molecular Weight

384.47

API Name

Glycerol

Chemical Information

Phenylbutyrate Impurity 8

CAS Number	1443417-10-4
PubChem CID	89652742
IUPAC Name	[3-hydroxy-2-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
Molecular Formula	C23H28O5
Molecular Weight	384.5
XLogP	3.9
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Heavy Atom Count	28
Formal Charge	0
Complexity	438

SMILES

C1=CC=C(C=C1)CCCC(=O)OCC(CO)OC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C23H28O5/c24-17-21(28-23(26)16-8-14-20-11-5-2-6-12-20)18-27-22(25)15-7-13-19-9-3-1-4-10-19/h1-6,9-12,21,24H,7-8,13-18H2

InChIKey

XYSVQHXLWJLILJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443417-10-4

CID: 89652742

Formula: C23H28O5

MW: 384.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.5
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Exact Mass	384.19367399
Monoisotopic Mass	384.19367399
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	438
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-N01612-01	Nintedanib Impurity 11 (Intedanib Impurity 11)
AR-G02548-01	Glycerol Impurity 18
AR-G02640-01	Glycerol Impurity 8
AR-G02622-01	Glycerol Impurity 14
AR-G02547-01	Glycerol Impurity 17
AR-G02636-01	Glycerol Impurity 6
AR-G02623-01	Glycerol Impurity 15
AR-G02549-01	Glycerol Impurity 19
AR-G02557-01	Glycerol Impurity 24
AR-G02558-01	Glycerol Impurity 25

Catalog	Name
RM-G251814-01	Glycerol Impurity 14
RM-G251815-01	Glycerol Impurity 15
RM-G251810-01	Glycerol Impurity 10
RM-G251803-01	Glycerol Impurity 3
RM-G251813-01	Glycerol Impurity 13
RM-G251808-01	Glycerol Impurity 8
RM-G251809-01	Glycerol Impurity 9
RM-G251811-01	Glycerol Impurity 11
270483-01	Cetirizine glycerol ester Impurity
RM-G637009-01	Glycerol Phenylbutyrate Impurity 9