![CAS 1567995-93-0 Ethyl 1,3-Dioxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazine-4-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1567995-93-0.gif)
CAS RN: 1567995-93-0
Ethyl 1,3-Dioxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazine-4-Carboxylate
- Product code: SSC-066004
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1567995-93-0 / ethyl 1,3-dioxo-4H-pyrrolo[1,2-a]pyrazine-4-carboxylate
Basic Information
CAS
1567995-93-0
Multi CAS
No
Molecular Formula
C10H10N2O4
Molecular Weight
222.200000
Exact Mass
222.064057
SMILES
CCOC(=O)C1C(=O)NC(=O)C2=CC=CN12
InChI
InChI=1S/C10H10N2O4/c1-2-16-10(15)7-9(14)11-8(13)6-4-3-5-12(6)7/h3-5,7H,2H2,1H3,(H,11,13,14)
InChIKey
IRUYOMRSJNPMCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.58
TPSA
77.4
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
0.4
Consensus LogP
0.05
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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