CAS RN: 1173026-41-9
Sodium 1-Benzyl-1H-imidazole-2-carboxylate
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.20250605 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1173026-41-9
- Purity/Analytical Methods: >99.0%
1173026-41-9 / sodium 1-benzylimidazole-2-carboxylate
sodium 1-benzyl-1H-imidazole-2-carboxylate | sodium;1-benzylimidazole-2-carboxylate | MFCD11857952
Basic Information
CAS
1173026-41-9
Multi CAS
No
Molecular Formula
C11H9N2NaO2
Molecular Weight
224.190000
Exact Mass
224.056172
SMILES
C1=CC=C(C=C1)CN2C=CN=C2C(=O)[O-].[Na+]
InChI
InChI=1S/C11H10N2O2.Na/c14-11(15)10-12-6-7-13(10)8-9-4-2-1-3-5-9;/h1-7H,8H2,(H,14,15);/q;+1/p-1
InChIKey
XZVQBVVWLKRYCB-UHFFFAOYSA-M
Synonyms
sodium 1-benzyl-1H-imidazole-2-carboxylate
sodium;1-benzylimidazole-2-carboxylate
MFCD11857952
YWB02641
AKOS023166399
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
52.1
TPSA
57.95
LogP / Solubility
WLOGP
-2.7
MLOGP
-2.37
XLogP3
-2.7
Consensus LogP
-2.59
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.55
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.76
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.01
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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![CAS 1173050-17-3 (2S,6S)-2,6-di-tert-butyl-1,2,3,5,6,7-hexahydroiMidazo[1,2-a]iMidazol-4-iuM iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173050-17-3.gif)
