CAS RN: 269410-15-3
2-(2-Fluorobiphenyl-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-125400
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
269410-15-3 / 2-(3-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
269410-15-3
Multi CAS
No
Molecular Formula
C18H20BFO2
Molecular Weight
298.200000
Exact Mass
298.154038
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C3=CC=CC=C3)F
InChI
InChI=1S/C18H20BFO2/c1-17(2)18(3,4)22-19(21-17)14-10-11-15(16(20)12-14)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKey
OGXPMMGBQKEWBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
87.55
TPSA
18.46
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.79
Consensus LogP
3.64
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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