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CAS 888721-65-1 1-(4-fluorophenyl)-6-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 888721-65-1

1-(4-fluorophenyl)-6-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250708 100mg In stock Inquiry
Batchno.20250929 1g In stock Inquiry
Batchno.20260519 250mg In stock Inquiry
  • Product code: SSC-200588
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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, 0.25g, 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 888721-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

888721-65-1 / 1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

Standard CAS: 888721-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
888721-65-1
Multi CAS
No
Molecular Formula
C13FH10NO3
Molecular Weight
247.220000
Exact Mass
247.064471
InChI
InChI=1S/C13H10FNO3/c1-8-2-7-11(13(17)18)12(16)15(8)10-5-3-9(14)4-6-10/h2-7H,1H3,(H,17,18)
InChIKey
BTPCWSQBSXUYHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.69
TPSA
59.3

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
2.7
Consensus LogP
2.14
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.82

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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