![CAS 150012-88-7 5H-Pyrrolo[1,2-a]imidazole-3-carboxylicacid,2-amino-6,7-dihydro-,ethylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150012-88-7.gif)
CAS RN: 150012-88-7
5H-Pyrrolo[1,2-a]imidazole-3-carboxylicacid,2-amino-6,7-dihydro-,ethylester
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.20251213 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS150012-88-7
- Purity/Analytical Methods: >99.0%
150012-88-7 / ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
Basic Information
CAS
150012-88-7
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
SMILES
CCOC(=O)C1=C(N=C2N1CCC2)N
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)7-8(10)11-6-4-3-5-12(6)7/h2-5,10H2,1H3
InChIKey
AIRDKVZFOXEKFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.92
TPSA
70.14
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
1.1
Consensus LogP
0.74
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.49
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 150019-56-0 8-(benzo[d][1,3]dioxol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150019-56-0.gif)