CAS RN: 1889221-03-7
3-METHYL-2-TRIFLUOROMETHYLPYRIDINE-5-BORONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1889221-03-7
- Purity/Analytical Methods: >99.0%
1889221-03-7 / [5-methyl-6-(trifluoromethyl)-3-pyridinyl]boronic acid
Basic Information
CAS
1889221-03-7
Multi CAS
No
Molecular Formula
C7H7BF3NO2
Molecular Weight
204.940000
Exact Mass
205.052193
SMILES
B(C1=CC(=C(N=C1)C(F)(F)F)C)(O)O
InChI
InChI=1S/C7H7BF3NO2/c1-4-2-5(8(13)14)3-12-6(4)7(9,10)11/h2-3,13-14H,1H3
InChIKey
WALYHQGLFGHGQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.8
TPSA
53.35
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
0.09
Consensus LogP
0.09
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1889290-24-7 5”-Bromospiro[imidazolidine-4,1”-[1H]indene]-2,3”,5(2”H)-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1889290-24-7.gif)
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![CAS 1889290-54-3 (R)-5′-Bromo-2′,3′-dihydrospiro[imidazolidine-4,1′-indene]-2,5-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1889290-54-3.gif)