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CAS 1286202-05-8 3-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyridine molecular structure lightbox
CAS RN: 1286202-05-8

3-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyridine

  • Product code: SSC-035828
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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, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1286202-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

1286202-05-8 / 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

Standard CAS: 1286202-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1286202-05-8
Multi CAS
No
Molecular Formula
C14H18BN3O2
Molecular Weight
271.120000
Exact Mass
271.149207
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CN=CC=C3
InChI
InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12/h5-10H,1-4H3
InChIKey
DMXSOTHMZWWOPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
77.08
TPSA
49.17

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
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
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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