![CAS 942070-74-8 1,2-DiMethyl-5-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-1H-iMidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942070-74-8.gif)
CAS RN: 942070-74-8
1,2-DiMethyl-5-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-1H-iMidazole
- Product code: SSC-208796
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
942070-74-8 / 1,2-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
Basic Information
CAS
942070-74-8
Multi CAS
No
Molecular Formula
BC11H19N2O2
Molecular Weight
222.090000
Exact Mass
222.153958
InChI
InChI=1S/C11H19BN2O2/c1-8-13-7-9(14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChIKey
ZPNAEIOTYVVDOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
63.66
TPSA
36.28
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.35
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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