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CAS 72633-64-8 Niflumic acid impurity B molecular structure lightbox
CAS RN: 72633-64-8

Niflumic acid impurity B

  • Product code: SSC-182143
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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: 0.1g
  • 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 72633-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

72633-64-8 / 2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

Standard CAS: 72633-64-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72633-64-8
Multi CAS
Yes
Molecular Formula
C13F3H9N2O2
Molecular Weight
282.220000
Exact Mass
282.061612
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h1-7H,(H,17,19)(H,18,20)
InChIKey
HRAILYWEUPEYQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.46
TPSA
61.96

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.1
Consensus LogP
2.36
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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