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CAS 566198-28-5 5-(4-FORMYLPHENYL)NICOTINIC ACID molecular structure lightbox
CAS RN: 566198-28-5

5-(4-FORMYLPHENYL)NICOTINIC ACID

  • Product code: SSC-164652
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 566198-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Shanghai Inquiry
0.25g ≥98% 1 In Stock Shanghai Inquiry
1g ≥98% 1 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

566198-28-5 / 5-(4-formylphenyl)pyridine-3-carboxylic acid

Standard CAS: 566198-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
566198-28-5
Multi CAS
No
Molecular Formula
C13H9NO3
Molecular Weight
227.210000
Exact Mass
227.058243
InChI
InChI=1S/C13H9NO3/c15-8-9-1-3-10(4-2-9)11-5-12(13(16)17)7-14-6-11/h1-8H,(H,16,17)
InChIKey
HXYMSAUBDZGIRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.02
TPSA
67.26

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
1.5
Consensus LogP
1.92
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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