Products for Research Use Only
RegisterLogin

(S) -PF-06873600

CAT: 0127-BUP01422-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP01422-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2185859-59-8
Purity
=98%
Smiles
O=C1N(C=2C(C=C1C(F)F)=CN=C(NC3CCN(S(C)(=O)=O)CC3)N2)[C@@H]4[C@@](C)(O)CCC4

Chemical Information

(S)-Ebvaciclib
CAS Number2185859-59-8
PubChem CID134253135
IUPAC Name6-(difluoromethyl)-8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC20H27F2N5O4S
Molecular Weight471.5
XLogP1.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity859
SMILES
C[C@@]1(CCC[C@@H]1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O
InChI
InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m0/s1
InChIKey
QIEKHLDZKRQLLN-YWZLYKJASA-N
Chemical Structure
2D Structure
2D structure of (S)-Ebvaciclib
CAS: 2185859-59-8
CID: 134253135
Formula: C20H27F2N5O4S
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass471.17518186
Monoisotopic Mass471.17518186
Topological Polar Surface Area124 Ų
Heavy Atom Count32
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP12572-01PF-06873600
BUP02541-01(S) -PF-03716556
BUP12247-01PF-05221304
BUP12091-01PF-03635659
BUP11629-01PF-17
BUP05535-01PF-04995274
BUP04891-01PF-AKT400
BUP04138PF-06952229
BUP03286-01PF-00835231
BUP03220-01PF-184298

Alternative Products

CatalogName
MBS3603486-01PF-06873600
A16875-10PF-06873600 10mg
A16875-2PF-06873600 2mg
GTR19244372-01(S) -PF-06873600
A16875-25PF-06873600 25mg
MBS5753854(S)-PF-06873600
A16875-50PF-06873600 50mg
A16875-100PF-06873600 100mg
A16875-5PF-06873600 5mg
A16875-1PF-06873600 1mg

Popular Products