CAS RN: 201733-56-4
Bis(neopentyl Glycolato)diboron
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-095094
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: 5g, 10g, 25g, 100g, 500g, 1000g
- 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 |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 500g | >98% | 5 In Stock | Beijing | Inquiry |
| 1000g | >98% | 5 In Stock | Beijing | Inquiry |
201733-56-4 / 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
Basic Information
CAS
201733-56-4
Multi CAS
No
Molecular Formula
C10H20B2O4
Molecular Weight
225.900000
Exact Mass
226.154769
SMILES
B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C
InChI
InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
InChIKey
MDNDJMCSXOXBFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.88
TPSA
36.92
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.26
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (76.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (69.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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