CAS RN: 627526-35-6
2-(1-FLUORONAPHTHALEN-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
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.20250504 | 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS627526-35-6
- Purity/Analytical Methods: >99.0%
627526-35-6 / 2-(4-fluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
627526-35-6
Multi CAS
No
Molecular Formula
BC16FH18O2
Molecular Weight
272.100000
Exact Mass
272.138388
InChI
InChI=1S/C16H18BFO2/c1-15(2)16(3,4)20-17(19-15)13-9-10-14(18)12-8-6-5-7-11(12)13/h5-10H,1-4H3
InChIKey
JYOPNVFIMNCXRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
79.62
TPSA
18.46
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
3.28
Consensus LogP
3.15
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.05
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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![CAS 627526-56-1 2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/627526-56-1.gif)
