CAS RN: 269410-07-3
1,2-Benzenediboronic Acid Bis(pinacol) Ester
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 100g | In stock | Shenzhen | Inquiry |
| Batchno.20250627 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250607 | 1g | In stock | Shenzhen | Inquiry |
| Batchno.20260129 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250106 | 25g | Out of stock | Inquiry | |
| Batchno.20250620 | 5g | Out of stock | Inquiry |
- Product code: SSC-125398
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: 1g, 5g
- Available purity: ≥98%
- 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.
269410-07-3 / 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
269410-07-3
Multi CAS
No
Molecular Formula
C18H28B2O4
Molecular Weight
330.000000
Exact Mass
330.217370
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-11-9-10-12-14(13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
InChIKey
VCTMQXIOUDZIGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.87
TPSA
36.92
LogP / Solubility
WLOGP
2.28
MLOGP
2.03
XLogP3
2.28
Consensus LogP
2.2
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
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
2.5
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