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CAS 1154579-82-4 2,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine molecular structure lightbox
CAS RN: 1154579-82-4

2,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

  • Product code: SSC-015192
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 1154579-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Beijing Inquiry

1154579-82-4 / 2,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 2,3-DIFLUOROPYRIDINE-5-BORONIC ACID PINACOL ESTER | MFCD08063095

Standard CAS: 1154579-82-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1154579-82-4
Multi CAS
Yes
Molecular Formula
C11H14BF2NO2
Molecular Weight
241.040000
Exact Mass
241.108565
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)F)F
InChI
InChI=1S/C11H14BF2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,1-4H3
InChIKey
VNZJHRDRAFSPLZ-UHFFFAOYSA-N
Synonyms
2,3-Difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 2,3-DIFLUOROPYRIDINE-5-BORONIC ACID PINACOL ESTER MFCD08063095 PYRIDINE, 2,3-DIFLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)- 5,6-Difluoropyridine-3-boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.87
TPSA
31.35

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.01

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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