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Cyclopropylboronic acid

CAT: 0804-HY-59219-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-59219-01Size:5 g
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Description
Cyclopropylboronic acid is an intermediate. Cyclopropylboronic acid can be used to synthesize Compound 25. Compound 25 has antiproliferative effects on EGFR mutant (EGFR Δ19del/T790M/C797S) cells. Cyclopropylboronic acid can be used in lung cancer research[1].
CAS Number
411235-57-9
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cyclopropylboronic-acid.html
Purity
99.20
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OB(C1CC1)O
Molecular Formula
C3H7BO2
Molecular Weight
85.90
Precautions
H302, H315, H319, H335
References & Citations
[1]Wu, et al. Aryl-phosphorus-oxygen compound as egfr kinase inhibitor. WO 2019/015655 Al. WIPO (PCT) . 2018-07-19.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Cyclopropylboronic acid
CAS Number411235-57-9
PubChem CID2760897
IUPAC Namecyclopropylboronic acid
Molecular FormulaC3H7BO2
Molecular Weight85.90
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity50
SMILES
B(C1CC1)(O)O
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChIKey
WLVKDFJTYKELLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropylboronic acid
CAS: 411235-57-9
CID: 2760897
Formula: C3H7BO2
MW: 85.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight85.90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass86.0539096
Monoisotopic Mass86.0539096
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity50.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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