Products for Research Use Only
RegisterLogin

Abemaciclib-D8

CAT: 1299-RM-A305095-02Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-A305095-02Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2088650-53-5
Synonyms
N- (5- ((4-ethylpiperazin-1-yl-2,2,3,3,5,5,6,6-d8) methyl) pyridin-2-yl) -5-fluoro-4- (4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl) pyrimidin-2-amine
Molecular Formula
C27H24D8F2N8
Molecular Weight
514.65
Target Alternative Name
Abemaciclib

Chemical Information

Abemaciclib-d8
CAS Number2088650-53-5
PubChem CID129010154
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2,2,3,3,5,5,6,6-octadeuterio-4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
Molecular FormulaC27H32F2N8
Molecular Weight514.6
XLogP3.8
Topological Polar Surface Area75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity723
SMILES
[2H]C1(C(N(C(C(N1CC)([2H])[2H])([2H])[2H])CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F)([2H])[2H])[2H]
InChI
InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)/i8D2,9D2,10D2,11D2
InChIKey
UZWDCWONPYILKI-JNJBWJDISA-N
Chemical Structure
2D Structure
2D structure of Abemaciclib-d8
CAS: 2088650-53-5
CID: 129010154
Formula: C27H32F2N8
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass514.32201335
Monoisotopic Mass514.32201335
Topological Polar Surface Area75 Ų
Heavy Atom Count37
Formal Charge0
Complexity723
Isotope Atom Count8
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-A305000-01Abemaciclib
RM-A305020-01Abemaciclib-d5
RM-A305009-01Abemaciclib Impurity 9
RM-A305007-01N-Nitroso Abemaciclib
RM-A305063-01Abemaciclib Impurity 63
RM-A305062-01Abemaciclib Impurity 62
RM-A305057-01Abemaciclib Impurity 57
RM-A305051-01Abemaciclib Impurity 51
RM-A305049-01Abemaciclib Impurity 49
RM-A305044-01Abemaciclib Impurity 44

Alternative Products

CatalogName
TRC-A115456-25MGAbemaciclib-D8
CS-CX-00618Abemaciclib-d8 (piperazine-d8)
TRC-D115452-100MGDesethyl-Abemaciclib-D8
HY-126534S-01Abemaciclib metabolite M18-d8
HY-129336SAbemaciclib metabolite M20-d8
CS-O-62457N-Nitroso N-Desethyl Abemaciclib-d8
FE103812-01Abemaciclib
CS-T-103878Desethyl-Abemaciclib-d8 (piperazine-2,2,3,3,5,5,6,6-d8)

Popular Products