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(R) -Zanubrutinib

CAT: 1410-M33186-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33186-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -Zanubrutinib ((R) -BGB-3111) is a selective inhibitor of Bruton tyrosine kinase (BTK) .
CAS Number
1691249-44-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
471.55
Molecular Formula
C27H29N5O3
Notes
Research use only, not for human use.
Receptor
BTK

Chemical Information

(R)-Zanubrutinib
CAS Number1691249-44-1
PubChem CID137071299
IUPAC Name(7R)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC27H29N5O3
Molecular Weight471.5
XLogP3.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity756
SMILES
C=CC(=O)N1CCC(CC1)[C@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m1/s1
InChIKey
RNOAOAWBMHREKO-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of (R)-Zanubrutinib
CAS: 1691249-44-1
CID: 137071299
Formula: C27H29N5O3
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass471.22703980
Monoisotopic Mass471.22703980
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity756
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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