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CAS 1073354-46-7 2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1073354-46-7

2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-BORONIC ACID PINACOL ESTER

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260610 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260223 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260324 5g Out of stock Inquiry
  • Product code: SSC-008909
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1073354-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1073354-46-7 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE | 2-(2,2,2-Trifluoroethoxy)pyridine-3-boronic acid pinacol ester | MFCD07781172

Standard CAS: 1073354-46-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1073354-46-7
Multi CAS
Yes
Molecular Formula
C13H17BF3NO3
Molecular Weight
303.090000
Exact Mass
303.125358
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)OCC(F)(F)F
InChI
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-6-5-7-18-10(9)19-8-13(15,16)17/h5-7H,8H2,1-4H3
InChIKey
JSYVVFGMCOWXSP-UHFFFAOYSA-N
Synonyms
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE 2-(2,2,2-Trifluoroethoxy)pyridine-3-boronic acid pinacol ester MFCD07781172 2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-BORONIC ACID, PINACOL ESTER 2-(2,2,2-Trifluoroethoxy)pyridine-3-boronicacidpinacolester

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
71.5
TPSA
40.58

LogP / Solubility

WLOGP
2.32
MLOGP
2.06
XLogP3
2.32
Consensus LogP
2.23
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

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
2.5

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