CAS RN: 149096-35-5
1H-Imidazole-4-carboxylicacid,1-propyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250222 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS149096-35-5
- Purity/Analytical Methods: >99.0%
149096-35-5 / 1-propylimidazole-4-carboxylic acid
Basic Information
CAS
149096-35-5
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
CCCN1C=C(N=C1)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-2-3-9-4-6(7(10)11)8-5-9/h4-5H,2-3H2,1H3,(H,10,11)
InChIKey
OUYXIPLZTRNTDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.48
TPSA
55.12
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.96
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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