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CAS 941869-20-1 1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 941869-20-1

1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

  • Product code: SSC-208746
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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 941869-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

941869-20-1 / 1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

Standard CAS: 941869-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
941869-20-1
Multi CAS
No
Molecular Formula
C13FH10NO3
Molecular Weight
247.220000
Exact Mass
247.064471
InChI
InChI=1S/C13H10FNO3/c14-11-4-1-9(2-5-11)7-15-8-10(13(17)18)3-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKey
SCCIZPNWNADCEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.16
TPSA
59.3

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-3

Drug-likeness / Medicinal Chemistry

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

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