CAS RN: 206658-89-1
3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-097353
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, 25g, 5g, 10g, 100g
- 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% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
206658-89-1 / (3-aminophenyl)boronic acid;hydrate
Basic Information
CAS
206658-89-1
Multi CAS
No
Molecular Formula
C6H10BNO3
Molecular Weight
154.960000
Exact Mass
155.075373
SMILES
B(C1=CC(=CC=C1)N)(O)O.O
InChI
InChI=1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2
InChIKey
XAEOVQODHLLNKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.29
TPSA
97.98
LogP / Solubility
WLOGP
-1.88
MLOGP
-1.66
XLogP3
-1.88
Consensus LogP
-1.81
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.77
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)
-5
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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