![CAS 363607-69-6 [1,1′-Binaphthalen]-4-ylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n1010-jpgcontextbwfzdgvyfhjvb3r8ndi1ntd8aw1hz2uvanblz3xozwmvadcwlzg5mze3ndy0ndczotavtjewmtauanbnfgjlmzrjnzuznzbinjgynjm0mjkxngvhnjliotezyzlkmmqwotu4nwqwm2jimwm2zjzlnddknjqwmmy2zgq4ywu.jpeg)
CAS RN: 363607-69-6
[1,1′-Binaphthalen]-4-ylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 1g | In stock | Shenzhen, Wuhan | Inquiry |
| Batchno.20250831 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251005 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 250mg | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20260211 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTN1010
363607-69-6 / (4-naphthalen-1-ylnaphthalen-1-yl)boronic acid
Basic Information
CAS
363607-69-6
Multi CAS
No
Molecular Formula
BC20H15O2
Molecular Weight
298.100000
Exact Mass
298.116510
InChI
InChI=1S/C20H15BO2/c22-21(23)20-13-12-18(17-9-3-4-10-19(17)20)16-11-5-7-14-6-1-2-8-15(14)16/h1-13,22-23H
InChIKey
GKRWMBPEFXXULT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
96.72
TPSA
40.46
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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