CAS RN: 865350-17-0
2-Allenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-195684
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
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
865350-17-0 / 4,4,5,5-tetramethyl-2-propa-1,2-dienyl-1,3,2-dioxaborolane
Basic Information
CAS
865350-17-0
Multi CAS
Yes
Molecular Formula
BC9H15O2
Molecular Weight
166.030000
Exact Mass
166.116510
InChI
InChI=1S/C9H15BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h7H,1H2,2-5H3
InChIKey
CJAOMXUZZONOSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.79
TPSA
18.46
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.34
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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