CAS RN: 851756-54-2
2,6-Dichloro-3-methylphenylboronic acid
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-193381
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, 0.1g, 0.25g, 25g, 10g
- 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 |
|---|---|---|---|---|
| 1g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
851756-54-2 / (2,6-dichloro-3-methylphenyl)boronic acid
Basic Information
CAS
851756-54-2
Multi CAS
Yes
Molecular Formula
C7H7BCL2O2
Molecular Weight
204.850000
Exact Mass
203.991615
InChI
InChI=1S/C7H7BCl2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
InChIKey
QRWVEDFFDGYSPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.02
TPSA
40.46
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.27
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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