Products for Research Use Only
RegisterLogin

Alectinib Impurity 1

CAT: 1596-AR-A05890-01Size: 50 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-A05890-01Size:50 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2412921-45-8
Synonyms
3-Cyano-9-ethyl-6,6-dimethyl-8- (4-morpholinopiperidin-1-yl) -11-oxo-6,11-dihydro-5H-benzo[b]carbazole-2-sulfonic acid
Molecular Formula
C30H34N4O5S
Molecular Weight
562.69
API Name
Alectinib

Chemical Information

3-Cyano-9-ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-2-sulfonic acid
CAS Number2412921-45-8
PubChem CID147331011
IUPAC Name3-cyano-9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-2-sulfonic acid
Molecular FormulaC30H34N4O5S
Molecular Weight562.7
XLogP1.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity1120
SMILES
CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C(=C6)S(=O)(=O)O)C#N)(C)C
InChI
InChI=1S/C30H34N4O5S/c1-4-18-13-21-23(16-25(18)34-7-5-20(6-8-34)33-9-11-39-12-10-33)30(2,3)29-27(28(21)35)22-15-26(40(36,37)38)19(17-31)14-24(22)32-29/h13-16,20,32H,4-12H2,1-3H3,(H,36,37,38)
InChIKey
DBQVDCFPPMVBDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyano-9-ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-2-sulfonic acid
CAS: 2412921-45-8
CID: 147331011
Formula: C30H34N4O5S
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass562.22499137
Monoisotopic Mass562.22499137
Topological Polar Surface Area135 Ų
Heavy Atom Count40
Formal Charge0
Complexity1120
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
AR-A05894-01Alectinib Impurity 7
AR-A05880-01Alectinib Impurity 4
AR-A05884-01Alectinib Impurity 9
AR-A05883-01Alectinib Impurity 8
AR-A05891-01Alectinib Impurity 14
AR-A05889-01Alectinib Impurity 12
AR-A05881-01Alectinib acid impurity
AR-A08062-01Alectinib Amide Impurity
AR-A05885-01Alectinib Impurity 10
AR-A08085-01Alectinib Oxidation Impurity

Alternative Products

CatalogName
RM-A329030-01Alectinib Impurity 30
RM-A329009-01Alectinib Impurity 9
RM-A329002-01Alectinib Impurity 2
RM-A329037-01Alectinib Impurity 37
RM-A329033-01Alectinib Impurity 33
RM-A329023-01Alectinib Impurity 23
GTR19281257-01Alectinib impurity 1
RM-A329027-01Alectinib Impurity 27
RM-A329038-01Alectinib Impurity 38
RM-A329004-01Alectinib Impurity 4

Popular Products