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BRASSINAZOLE

CAT: 0013-GTR19157462-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157462-04Size:5 mg
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Description
Brassinosteroids are a class of phytohormones with essential roles in plant growth and development including the promotion of stem elongation and cell division. Brassinazole is a triazole-type brassinosteroid biosynthesis inhibitor.
CAS Number
224047-41-0
Purity
>98% (HPLC)
Smiles
CC (O) (C (Cc1ccc (Cl) cc1) n1cncn1) c1ccccc1
Molecular Formula
C18H18ClN3O
Molecular Weight
327.8
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Brassinazole

Brassinazole is a member of the class of triazoles that is butan-2-ol which is substituted at positions 2, 3, and 4 by phenyl, 1H-1,2,4-triazol-1-yl and p-chlorophenyl groups, respectively. An inhibitor of brassinosteroid biosynthesis. It has a role as a brassinosteroid biosynthesis inhibitor. It is a tertiary alcohol, a member of triazoles and a member of monochlorobenzenes.

CAS Number224047-41-0
PubChem CID15477807
IUPAC Name4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
Molecular FormulaC18H18ClN3O
Molecular Weight327.8
XLogP3.6
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity369
SMILES
CC(C1=CC=CC=C1)(C(CC2=CC=C(C=C2)Cl)N3C=NC=N3)O
InChI
InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
InChIKey
YULDTPKHZNKFEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brassinazole
CAS: 224047-41-0
CID: 15477807
Formula: C18H18ClN3O
MW: 327.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.8
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass327.1138399
Monoisotopic Mass327.1138399
Topological Polar Surface Area50.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AS16 3219Anti-BZR1 | Brassinazole resistant 1 (Oryza sativa)
MBS1445623-01Recombinant Arabidopsis thaliana Protein BRASSINAZOLE-RESISTANT 2 (BZR2)
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