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CAS 344591-91-9 1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID molecular structure lightbox
CAS RN: 344591-91-9

1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250722 100mg In stock Inquiry
Batchno.20260126 10g In stock Inquiry
Batchno.20250209 1g In stock Inquiry
Batchno.20260306 250mg In stock Inquiry
Batchno.20260224 25g In stock Inquiry
Batchno.20250617 5g In stock Inquiry
  • Product code: SSC-140930
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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, 5g, 10g, 25g
  • 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 344591-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

344591-91-9 / [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid

Standard CAS: 344591-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344591-91-9
Multi CAS
No
Molecular Formula
BC5F3H6N2O2
Molecular Weight
193.920000
Exact Mass
194.047442
InChI
InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3
InChIKey
XPUNXPPXMANQGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.04
TPSA
58.28

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.78
XLogP3
-0.88
Consensus LogP
-0.85
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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