CAS RN: 30418-59-8
3-Aminobenzeneboronic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-134839
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
- Available purity: ≥95%
- 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 | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 100g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 500g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
30418-59-8 / (3-aminophenyl)boronic acid
Basic Information
CAS
30418-59-8
Multi CAS
Yes
Molecular Formula
BC6H8NO2
Molecular Weight
136.950000
Exact Mass
137.064809
InChI
InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
InChIKey
JMZFEHDNIAQMNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.68
TPSA
66.48
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.05
Consensus LogP
-1.01
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.2
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3
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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- Purity/Analytical method: >99.0%
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