CAS RN: 2614262-12-1
6-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Benzofuran
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 1g / 5g / 10g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2614262-12-1
- Purity/Analytical Methods: >99.0%
2614262-12-1 / 2-(6-fluoro-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2614262-12-1
Multi CAS
No
Molecular Formula
C14H16BFO3
Molecular Weight
262.090000
Exact Mass
262.117653
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2OC=C3)F
InChI
InChI=1S/C14H16BFO3/c1-13(2)14(3,4)19-15(18-13)11-10(16)6-5-9-7-8-17-12(9)11/h5-8H,1-4H3
InChIKey
ZQCOHLUGXWJSLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
71.89
TPSA
31.6
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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