![CAS 67286-70-8 ethyl 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67286-70-8.gif)
CAS RN: 67286-70-8
ethyl 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate
- Product code: SSC-176975
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
67286-70-8 / ethyl 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate
Basic Information
CAS
67286-70-8
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-11-5-3-4-8(11)10-7/h6H,2-5H2,1H3
InChIKey
GNHHCFKOGRVRHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.5
TPSA
44.12
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.11
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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