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CAS 1779128-15-2 1-(Pyridin-2-yl)-1H-imidazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1779128-15-2

1-(Pyridin-2-yl)-1H-imidazole-5-carboxylic acid

  • Product code: SSC-077792
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1779128-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1779128-15-2 / 3-pyridin-2-ylimidazole-4-carboxylic acid

Standard CAS: 1779128-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1779128-15-2
Multi CAS
No
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
SMILES
C1=CC=NC(=C1)N2C=NC=C2C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-5-10-6-12(7)8-3-1-2-4-11-8/h1-6H,(H,13,14)
InChIKey
ZGIMCHRETPQPNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.32
TPSA
68.01

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

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