CAS RN: 169126-63-0
5,5,8,8-TetraMethyl-5,6,7,8-tetrahydronaphthalene-2-boronic acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250410 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250505 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250906 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250124 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251128 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260403 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20251117 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-073780
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
169126-63-0 / (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid
Basic Information
CAS
169126-63-0
Multi CAS
No
Molecular Formula
C14H21BO2
Molecular Weight
232.130000
Exact Mass
232.163460
SMILES
B(C1=CC2=C(C=C1)C(CCC2(C)C)(C)C)(O)O
InChI
InChI=1S/C14H21BO2/c1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13/h5-6,9,16-17H,7-8H2,1-4H3
InChIKey
NXBNRLONOXGRCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.55
TPSA
40.46
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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