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CAS 144493-38-9 6-(1H-Benzo[d]imidazol-2-yl)picolinic acid molecular structure lightbox
CAS RN: 144493-38-9

6-(1H-Benzo[d]imidazol-2-yl)picolinic acid

  • Product code: SSC-055675
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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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 144493-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

144493-38-9 / 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylic acid

Standard CAS: 144493-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144493-38-9
Multi CAS
No
Molecular Formula
C13H9N3O2
Molecular Weight
239.230000
Exact Mass
239.069477
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)11-7-3-6-10(14-11)12-15-8-4-1-2-5-9(8)16-12/h1-7H,(H,15,16)(H,17,18)
InChIKey
FNXKXUOZDZFCAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.28
TPSA
78.87

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.53

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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