CAS RN: 2066512-27-2
2-(Diiodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-097350
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 1g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 1 In Stock | Beijing | Inquiry |
2066512-27-2 / 2-(diiodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2066512-27-2
Multi CAS
No
Molecular Formula
C7H13BI2O2
Molecular Weight
393.800000
Exact Mass
393.909810
SMILES
B1(OC(C(O1)(C)C)(C)C)C(I)I
InChI
InChI=1S/C7H13BI2O2/c1-6(2)7(3,4)12-8(11-6)5(9)10/h5H,1-4H3
InChIKey
JYEMEPSGEGEKBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.91
TPSA
18.46
LogP / Solubility
WLOGP
2.81
MLOGP
2.5
XLogP3
2.81
Consensus LogP
2.71
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.12
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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