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CAS 1150561-61-7 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1150561-61-7

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

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250913 10g Out of stock Inquiry
Batchno.20260417 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250610 250mg In stock Shanghai Inquiry
Batchno.20260117 5g In stock Shanghai Inquiry
  • Product code: SSC-014757
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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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1150561-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1150561-61-7 / 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine | 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester | 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic acid, pinacol ester

Standard CAS: 1150561-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150561-61-7
Multi CAS
Yes
Molecular Formula
C13H17BF3NO3
Molecular Weight
303.090000
Exact Mass
303.125358
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)C(F)(F)F
InChI
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-6-9(13(15,16)17)10(19-5)18-7-8/h6-7H,1-5H3
InChIKey
GNJXUHQYHOJYMP-UHFFFAOYSA-N
Synonyms
2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester 2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic acid, pinacol ester MFCD12026094 Pyridine, 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.51
TPSA
40.58

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.41
Consensus LogP
2.32
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.86

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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