CAS RN: 89694-46-2
2-Chloro-5-methoxyphenylboronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-201738
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, 10g, 25g, 0.25g, 5g, 100g
- Available purity: ≥98%
- 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 | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
89694-46-2 / (2-chloro-5-methoxyphenyl)boronic acid
Basic Information
CAS
89694-46-2
Multi CAS
No
Molecular Formula
C7H8BCLO3
Molecular Weight
186.400000
Exact Mass
186.025502
InChI
InChI=1S/C7H8BClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChIKey
REFXAANPQCJZRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.83
TPSA
49.69
LogP / Solubility
WLOGP
0.03
MLOGP
0.02
XLogP3
0.03
Consensus LogP
0.03
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.84
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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