![CAS 1338563-13-5 ethyl 1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338563-13-5.gif)
CAS RN: 1338563-13-5
ethyl 1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate
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.20251128 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1338563-13-5
- Purity/Analytical Methods: >99.0%
1338563-13-5 / ethyl 1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylate
Basic Information
CAS
1338563-13-5
Multi CAS
No
Molecular Formula
C10H12N2O3
Molecular Weight
208.210000
Exact Mass
208.084792
SMILES
CCOC(=O)C1=CN2CCNC(=O)C2=C1
InChI
InChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-8-9(13)11-3-4-12(8)6-7/h5-6H,2-4H2,1H3,(H,11,13)
InChIKey
BJCNIYJZOSUOAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.72
TPSA
60.33
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.2
Consensus LogP
0.32
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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