CAS RN: 452972-14-4
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-153068
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
452972-14-4 / 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
452972-14-4
Multi CAS
Yes
Molecular Formula
BC11FH15NO2
Molecular Weight
223.050000
Exact Mass
223.117987
InChI
InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
InChIKey
YYOZFGQOPNTVGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.91
TPSA
31.35
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- CAS RN: 380151-86-0
- Product Code: SSC-145452
-
Methyl 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- CAS RN: 480425-35-2
- Product Code: SSC-154999
-
8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene
- CAS RN: 680596-79-6
- Product Code: SSC-177775
-
4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
- CAS RN: 269410-26-6
- Product Code: SSC-125406
-
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide
- CAS RN: 138500-85-3
- Product Code: SSC-048505
-
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Alcohol
- CAS RN: 443776-76-9
- Product Code: SSC-152360
![CAS 680596-79-6 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3566-jpgcontextbwfzdgvyfhjvb3r8mzq2odv8aw1hz2uvanblz3xom2uvadnilzg5mzi3mtq2mta3mtgvvdm1njyuanbnfduynmrmmje5njriowi1ndc2mtazyjk0mmvmztaxntk3yza5nmjlmdgwmjbhmdewntq5ngrjzwe3njiyztrmyzk.jpeg)
