CAS RN: 212127-80-5
2-(2,5-Dihydrofuran-3-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
- Product code: SSC-101316
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, 0.1g, 0.25g, 100g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 2 In Stock | Shanghai | Inquiry |
| 25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 100g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
212127-80-5 / 2-(2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
212127-80-5
Multi CAS
No
Molecular Formula
C10H17BO3
Molecular Weight
196.050000
Exact Mass
196.127075
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCOC2
InChI
InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5H,6-7H2,1-4H3
InChIKey
FCRCZWHPQMJOSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.98
TPSA
27.69
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.8
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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