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Chemical structure of (2S,3R)-Brassinazole

GC68523

(2S,3R)-Brassinazole

Also known as (2S,3R)-4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol

(2S,3R)-Brassinazole is an isomer of brassinazole, which is a compound that inhibits the biosynthesis of brassinosteroids (BR), a class of plant steroids, by acting on the oxidation process from 6-oxo-campestanol to teasterone· (2S,3R)-Brassinazole may be the most active form of brassinazole

ChemicalCAS259200-31-2MW327.81FormulaC18H18ClN3O
CAS number
259200-31-2
Molecular weight
327.81
Formula
C18H18ClN3O
Solubility
DMSO ： 20 mg/mL (61·01 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YULDTPKHZNKFEY-MSOLQXFVSA-N
Catalogue number
GC68523
Brand
GLPBIO
Computed properties PubChem CID 92846666 · XLogP 3.6 · TPSA 50.9 Ų · H-bond donors 1
XLogP
3.6
TPSA
50.9 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23

SMILES C[C@](C1=CC=CC=C1)([C@@H](CC2=CC=C(C=C2)Cl)N3C=NC=N3)O

Computed descriptors from PubChem (CID 92846666), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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