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CAS 147269-16-7 6-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-Pyridinecarboxylic acid molecular structure lightbox
CAS RN: 147269-16-7

6-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-Pyridinecarboxylic acid

  • Product code: SSC-058024
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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: 5g
  • 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 147269-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

147269-16-7 / 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

Standard CAS: 147269-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147269-16-7
Multi CAS
No
Molecular Formula
C12H8ClNO3
Molecular Weight
249.650000
Exact Mass
249.019271
SMILES
C1=CC(=CC=C1C2=CC=C(C(=O)N2)C(=O)O)Cl
InChI
InChI=1S/C12H8ClNO3/c13-8-3-1-7(2-4-8)10-6-5-9(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKey
CBGGWZGPODAQIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.47
TPSA
70.16

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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