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CAS 501125-75-3 4-Pyridinol, 2-(difluoromethyl)- (9CI) molecular structure lightbox
CAS RN: 501125-75-3

4-Pyridinol, 2-(difluoromethyl)- (9CI)

  • Product code: SSC-156528
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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 501125-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

501125-75-3 / 2-(difluoromethyl)-1H-pyridin-4-one

Standard CAS: 501125-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501125-75-3
Multi CAS
No
Molecular Formula
C6F2H5NO
Molecular Weight
145.110000
Exact Mass
145.033920
InChI
InChI=1S/C6H5F2NO/c7-6(8)5-3-4(10)1-2-9-5/h1-3,6H,(H,9,10)
InChIKey
VWYHJCRJHOEEEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.02
TPSA
32.86

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
0.8
Consensus LogP
1.09
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.67

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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