Products for Research Use Only
RegisterLogin

Belumosudil Impurity 29

CAT: 1299-RM-B235029-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-B235029-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
911417-95-3
Synonyms
Tert-butyl 5- ((2- (3- (2- (isopropylamino) -2-oxoethoxy) phenyl) quinazolin-4-yl) amino) -1H-indazole-1-carboxylate
Molecular Formula
C31H32N6O4
Molecular Weight
552.64
Target Alternative Name
Belumosudil

Chemical Information

tert-butyl 5-(2-(3-(2-(isopropylamino)-2-oxoethoxy)-phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
CAS Number911417-95-3
PubChem CID66826312
IUPAC Nametert-butyl 5-[[2-[3-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
Molecular FormulaC31H32N6O4
Molecular Weight552.6
XLogP6.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity896
SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)N(N=C5)C(=O)OC(C)(C)C
InChI
InChI=1S/C31H32N6O4/c1-19(2)33-27(38)18-40-23-10-8-9-20(16-23)28-35-25-12-7-6-11-24(25)29(36-28)34-22-13-14-26-21(15-22)17-32-37(26)30(39)41-31(3,4)5/h6-17,19H,18H2,1-5H3,(H,33,38)(H,34,35,36)
InChIKey
QEOBJJQEXYYWMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl 5-(2-(3-(2-(isopropylamino)-2-oxoethoxy)-phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
CAS: 911417-95-3
CID: 66826312
Formula: C31H32N6O4
MW: 552.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass552.24850352
Monoisotopic Mass552.24850352
Topological Polar Surface Area120 Ų
Heavy Atom Count41
Formal Charge0
Complexity896
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-B235011-01Belumosudil Impurity 11
RM-B235006-01Belumosudil Impurity 6
RM-B235005-01Belumosudil Impurity 5
RM-B235049-01Belumosudil Impurity 49
RM-B235047-01Belumosudil Impurity 47
RM-B235046-01Belumosudil Impurity 46
RM-B235040-01Belumosudil Impurity 40
RM-B235058-01Belumosudil Impurity 58
RM-B235056-01Belumosudil Impurity 56
RM-B235054-01Belumosudil Impurity 54

Alternative Products

CatalogName
CS-O-61093N-Nitroso Belumosudil Impurity 1
abx283258-01Belumosudil
HY-15307R-01Belumosudil (Standard)
MBS5800010Belumosudil mesylate
S7936-25mgBelumosudil (KD025)
CS-CX-00785Belumosudil 13C6
HY-164809Desisopropyle-belumosudil
AR-B06142-01Belumosudil-d7
HY-15307A-01Belumosudil (mesylate)

Popular Products