CAS RN: 76347-13-2
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-185779
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 3 In Stock | Shanghai | Inquiry |
| 10g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 2 In Stock | Beijing | Inquiry |
| 100g | >98% | 1 In Stock | Shenzhen | Inquiry |
76347-13-2 / 4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
Basic Information
CAS
76347-13-2
Multi CAS
Yes
Molecular Formula
BC9H19O2
Molecular Weight
170.060000
Exact Mass
170.147810
InChI
InChI=1S/C9H19BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h7H,1-6H3
InChIKey
MECCSFDHAVAAAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.18
TPSA
18.46
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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