CAS RN: 2223043-31-8
2-fluoro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2223043-31-8
- Purity/Analytical Methods: >99.0%
2223043-31-8 / 2-fluoro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
2223043-31-8
Multi CAS
No
Molecular Formula
C12H17BFNO3
Molecular Weight
253.080000
Exact Mass
253.128552
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)F)OC
InChI
InChI=1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)15-10(7-8)16-5/h6-7H,1-5H3
InChIKey
MJEAYURKKSMLIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.46
TPSA
40.58
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-3.18
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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