CAS RN: 1451391-00-6
2-Fluoro-3-isopropoxyphenylboronic acid pinacol ester
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.20250921 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1451391-00-6
- Purity/Analytical Methods: >99.0%
1451391-00-6 / 2-(2-fluoro-3-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1451391-00-6
Multi CAS
No
Molecular Formula
C15H22BFO3
Molecular Weight
280.140000
Exact Mass
280.164603
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)OC(C)C)F
InChI
InChI=1S/C15H22BFO3/c1-10(2)18-12-9-7-8-11(13(12)17)16-19-14(3,4)15(5,6)20-16/h7-10H,1-6H3
InChIKey
DSIBMZWYVMJDAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
77.88
TPSA
27.69
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.91
Consensus LogP
2.8
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-2.36
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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