![CAS 871792-60-8 6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871792-60-8.gif)
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: 0.1g, 0.25g, 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.
871792-60-8 / 6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine
Basic Information
CAS
871792-60-8
Multi CAS
Yes
Molecular Formula
C6H7N3
Molecular Weight
121.140000
Exact Mass
121.063997
InChI
InChI=1S/C6H7N3/c1-2-9-6-4-7-3-5(6)8-1/h1-2,7H,3-4H2
InChIKey
GSIQLKOFXMCKNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.58
TPSA
37.81
LogP / Solubility
WLOGP
0.08
MLOGP
0.06
XLogP3
-1.2
Consensus LogP
-0.35
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-3.4
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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