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, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 9
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >98% | 1 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shanghai | Inquiry |
| 100g | -- | 1 In Stock | Shenzhen | Inquiry |
| 500g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
905583-06-4 / (3,4-difluoro-2-methoxyphenyl)boronic acid
Basic Information
CAS
905583-06-4
Multi CAS
No
Molecular Formula
BC7F2H7O3
Molecular Weight
187.940000
Exact Mass
188.045631
InChI
InChI=1S/C7H7BF2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3,11-12H,1H3
InChIKey
VSALEQTUDXMKST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.74
TPSA
49.69
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
-0.35
Consensus LogP
-0.34
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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