CAS RN: 944401-75-6
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
- Product code: SSC-209272
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: 0.1g, 0.25g, 1g, 10g, 5g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 3 In Stock | Hong Kong | Inquiry |
944401-75-6 / 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Basic Information
CAS
944401-75-6
Multi CAS
Yes
Molecular Formula
BC11FH16N2O2
Molecular Weight
238.070000
Exact Mass
238.128886
InChI
InChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,1-4H3,(H2,14,15)
InChIKey
OAEDVIUUNHFXLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.32
TPSA
57.37
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.39
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
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![CAS 944407-44-7 2,3-Dihydrofuro[2,3-c]pyridin-5-ylMethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944407-44-7.gif)
![CAS 944450-48-0 Diacetato[(R)-(+)-5,5′-bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole] ruthenium(II) Ru(OAc)2[(R)-segphos] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944450-48-0.gif)
![CAS 944450-49-1 Diacetato{(R)-(+)-5,5′-bis[di(3,5-xylyl)phosphino]-4,4′-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(R)-dm-segphos] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944450-49-1.gif)
![CAS 944450-50-4 Diacetato{(R)-(+)-5,5′-bis[di(3,5-xylyl)phosphino]-4,4′-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(R)-dm-segphos] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944450-50-4.gif)
