CAS RN: 167105-03-5
8-BROMONAPHTAHLENENE-1-BORONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 250mg / 1g / 5g / 25g | Out of stock | 3-5 business days | Inquiry |
- Product code: SSC-072898
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
167105-03-5 / (8-bromonaphthalen-1-yl)boronic acid
Basic Information
CAS
167105-03-5
Multi CAS
No
Molecular Formula
C10H8BBrO2
Molecular Weight
250.890000
Exact Mass
249.980070
SMILES
B(C1=C2C(=CC=C1)C=CC=C2Br)(O)O
InChI
InChI=1S/C10H8BBrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6,13-14H
InChIKey
YPPQXIRIFYYANY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.47
TPSA
40.46
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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