CAS RN: 2098215-65-5
2-Cyclopropylpyridine-3-boronic Acid Pinacol Ester
- Product code: SSC-099729
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, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 5
- 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% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 2 In Stock | Beijing | Inquiry |
2098215-65-5 / 2-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
2098215-65-5
Multi CAS
No
Molecular Formula
C14H20BNO2
Molecular Weight
245.130000
Exact Mass
245.158709
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C3CC3
InChI
InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-9-16-12(11)10-7-8-10/h5-6,9-10H,7-8H2,1-4H3
InChIKey
BTUATTSYEKDRSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.93
TPSA
31.35
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.61
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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