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CAS 340809-52-1 6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine molecular structure lightbox
CAS RN: 340809-52-1

6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine

  • Product code: SSC-140304
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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: ≥95%
  • 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 340809-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

340809-52-1 / 6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine

Standard CAS: 340809-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
340809-52-1
Multi CAS
No
Molecular Formula
C7F3H4N3
Molecular Weight
187.120000
Exact Mass
187.035732
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)6-1-5-4(2-11-6)3-12-13-5/h1-3H,(H,12,13)
InChIKey
XQCNVZDKFUHJIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.89
TPSA
41.57

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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