CAS RN: 196212-27-8
1,3-Benzenediboronic Acid Bis(pinacol) Ester
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251128 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250815 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250616 | 25g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20260322 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-092705
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, 10g, 25g
- 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.
196212-27-8 / 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
196212-27-8
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=C2)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
InChIKey
LLQQCDJVSYEQQQ-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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (60%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
- CAS RN: 618442-57-2
- Product Code: SSC-170815
-
9-(9-Heptadecanyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
- CAS RN: 958261-51-3
- Product Code: SSC-211481
-
9,9-Bis(2-ethylhexyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene
- CAS RN: 357219-41-1
- Product Code: SSC-142779
-
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-didodecylfluorene
- CAS RN: 749900-93-4
- Product Code: ICTB4624
- Purity/Analytical method: >98.0%(HPLC)
-
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-didecylfluorene
- CAS RN: 711026-06-1
- Product Code: SSC-180789
-
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-di-n-octylfluorene
- CAS RN: 196207-58-6
- Product Code: SSC-092701
