CAS RN: 1698028-43-1
Boronic acid, B-(3-hydroxy-1-naphthalenyl)-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-074420
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
1698028-43-1 / (3-hydroxynaphthalen-1-yl)boronic acid
Basic Information
CAS
1698028-43-1
Multi CAS
No
Molecular Formula
C10H9BO3
Molecular Weight
187.990000
Exact Mass
188.064474
SMILES
B(C1=CC(=CC2=CC=CC=C12)O)(O)O
InChI
InChI=1S/C10H9BO3/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6,12-14H
InChIKey
OJCMZQBOMVSRMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.44
TPSA
60.69
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.23
Consensus LogP
0.22
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.71
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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