CAS RN: 1330764-24-3
5-Aminomethyl-3H-Imidazole-4-Carboxylic Acid Ethyl Ester
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.20250215 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1330764-24-3
- Purity/Analytical Methods: >99.0%
1330764-24-3 / ethyl 5-(aminomethyl)-1H-imidazole-4-carboxylate
Basic Information
CAS
1330764-24-3
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
SMILES
CCOC(=O)C1=C(NC=N1)CN
InChI
InChI=1S/C7H11N3O2/c1-2-12-7(11)6-5(3-8)9-4-10-6/h4H,2-3,8H2,1H3,(H,9,10)
InChIKey
TWRZLDQFXPGVSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.44
TPSA
81
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
-0.5
Consensus LogP
-0.14
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.72
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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