![CAS 71257-37-9 Pyrrolo[1,2-a]pyrazine, 3,4-dihydro- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71257-37-9.gif)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
71257-37-9 / 3,4-dihydropyrrolo[1,2-a]pyrazine
Basic Information
CAS
71257-37-9
Multi CAS
No
Molecular Formula
C7H8N2
Molecular Weight
120.150000
Exact Mass
120.068748
InChI
InChI=1S/C7H8N2/c1-2-7-6-8-3-5-9(7)4-1/h1-2,4,6H,3,5H2
InChIKey
MGVILGGQOXEHIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
36.89
TPSA
17.29
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.1
Consensus LogP
0.61
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-2.8
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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