CAS RN: 34626-06-7
2-(Pyridin-4-yl)-1H-iMidazole-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS34626-06-7
- Purity/Analytical Methods: >99.0%
34626-06-7 / 2-pyridin-4-yl-1H-imidazole-5-carboxylic acid
Basic Information
CAS
34626-06-7
Multi CAS
No
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-5-11-8(12-7)6-1-3-10-4-2-6/h1-5H,(H,11,12)(H,13,14)
InChIKey
IKHNTCURSBQOJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.78
TPSA
78.87
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
0.5
Consensus LogP
0.9
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.04
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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