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CAS 85531-49-3 [4,4′-Bipyridine]-2,2′-dicarboxylicacid molecular structure lightbox
CAS RN: 85531-49-3

[4,4′-Bipyridine]-2,2′-dicarboxylicacid

  • Product code: SSC-193963
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 85531-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

85531-49-3 / 4-(2-carboxy-4-pyridinyl)pyridine-2-carboxylic acid

Standard CAS: 85531-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85531-49-3
Multi CAS
Yes
Molecular Formula
C12H8N2O4
Molecular Weight
244.200000
Exact Mass
244.048407
InChI
InChI=1S/C12H8N2O4/c15-11(16)9-5-7(1-3-13-9)8-2-4-14-10(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKey
XHVUFVVPMVIQEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.39
TPSA
100.38

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

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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