CAS RN: 1171892-40-2
3-ethoxy-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251120 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250910 | 1g | Out of stock | Inquiry | ||
| Batchno.20250319 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251029 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260619 | 5g | Out of stock | Inquiry |
- Product code: SSC-017033
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 | Beijing | Inquiry |
1171892-40-2 / 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 5-Ethoxypyridine-3-boronic acid pinacol ester | MFCD11878280
Basic Information
CAS
1171892-40-2
Multi CAS
No
Molecular Formula
C13H20BNO3
Molecular Weight
249.120000
Exact Mass
249.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OCC
InChI
InChI=1S/C13H20BNO3/c1-6-16-11-7-10(8-15-9-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChIKey
MSTJSRQLRFPSAI-UHFFFAOYSA-N
Synonyms
3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
5-Ethoxypyridine-3-boronic acid pinacol ester
MFCD11878280
Pyridine, 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
SCHEMBL2066788
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
71.12
TPSA
40.58
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.98
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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