CAS RN: 2235386-14-6
Quinoline, 8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250926 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2235386-14-6
- Purity/Analytical Methods: >99.0%
2235386-14-6 / 8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Basic Information
CAS
2235386-14-6
Multi CAS
No
Molecular Formula
C15H17BFNO2
Molecular Weight
273.110000
Exact Mass
273.133637
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)N=CC=C3
InChI
InChI=1S/C15H17BFNO2/c1-14(2)15(3,4)20-16(19-14)11-8-10-6-5-7-18-13(10)12(17)9-11/h5-9H,1-4H3
InChIKey
DGPKJUJYASGYRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.42
TPSA
31.35
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
2.67
Consensus LogP
2.57
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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