CAS RN: 849934-85-6
6-ethoxy-5-(trifluoroMethyl)pyridin-3-ylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250429 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS849934-85-6
- Purity/Analytical Methods: >99.0%
849934-85-6 / [6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]boronic acid
Basic Information
CAS
849934-85-6
Multi CAS
No
Molecular Formula
BC8F3H9NO3
Molecular Weight
234.970000
Exact Mass
235.062758
InChI
InChI=1S/C8H9BF3NO3/c1-2-16-7-6(8(10,11)12)3-5(4-13-7)9(14)15/h3-4,14-15H,2H2,1H3
InChIKey
OFQUWRKGOGCLPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.23
TPSA
62.58
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-4.03
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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