![CAS 496-13-9 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/496-13-9.gif)
CAS RN: 496-13-9
2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE
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.20251021 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS496-13-9
- Purity/Analytical Methods: >99.0%
496-13-9 / 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
Basic Information
CAS
496-13-9
Multi CAS
Yes
Molecular Formula
C7H8N2
Molecular Weight
120.150000
Exact Mass
120.068748
InChI
InChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,4,9H,3,5H2
InChIKey
HIACNNDCIUUION-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.78
TPSA
24.92
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
-0.2
Consensus LogP
0.36
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-2.97
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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