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CAS 925179-02-8 1-DIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 925179-02-8

1-DIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID

  • Product code: SSC-206209
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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 925179-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

925179-02-8 / 1-(difluoromethyl)pyrazole-3-carboxylic acid

Standard CAS: 925179-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
925179-02-8
Multi CAS
No
Molecular Formula
C5F2H4N2O2
Molecular Weight
162.090000
Exact Mass
162.024084
InChI
InChI=1S/C5H4F2N2O2/c6-5(7)9-2-1-3(8-9)4(10)11/h1-2,5H,(H,10,11)
InChIKey
IUAGBSGAPCSVAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.44
TPSA
55.12

LogP / Solubility

WLOGP
0.98
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.02

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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