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(R) -Capivasertib

CAT: 0013-GTR19267048-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267048-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -Capivasertib ((R) -AZD5363) is the R-isomer of Capivasertib.
CAS Number
1143532-51-7
Field of Research
Signal Transduction
Smiles
C (N[C@H] (CCO) C1=CC=C (Cl) C=C1) (=O) C2 (N) CCN (C3=C4C (=NC=N3) NC=C4) CC2
Molecular Formula
C21H25ClN6O2
Molecular Weight
428.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-Capivasertib

See also: Capivasertib (annotation moved to).

CAS Number1143532-51-7
PubChem CID57750340
IUPAC Name4-amino-N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Molecular FormulaC21H25ClN6O2
Molecular Weight428.9
XLogP1.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity580
SMILES
C1CN(CCC1(C(=O)N[C@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
InChI
InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
InChIKey
JDUBGYFRJFOXQC-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-Capivasertib
CAS: 1143532-51-7
CID: 57750340
Formula: C21H25ClN6O2
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass428.1727518
Monoisotopic Mass428.1727518
Topological Polar Surface Area120 Ų
Heavy Atom Count30
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP12094-01Capivasertib
S8019-5mgCapivasertib (AZD5363)
CS-O-59072Capivasertib-d4
HY-15431R-01Capivasertib (Standard)
TYD-02708-01(R) -Capivasertib
AR-C05983-01Capivasertib-d6
CS-O-64825Capivasertib-d5
CS-O-60041N-Nitroso Capivasertib
RM-C017603-01Capivasertib Impurity 3
RM-C017604-01Capivasertib Impurity 4

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