![CAS 128740-18-1 1-Methyl-octahydropyrrolo[3.4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128740-18-1.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.
128740-18-1 / 1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
Basic Information
CAS
128740-18-1
Multi CAS
No
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
CN1CCCC2C1CNC2
InChI
InChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3
InChIKey
QVLUVOZDWSAEIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.01
TPSA
15.27
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.4
Consensus LogP
0.32
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 128758-05-4 1-PHENYLOCTAHYDROPYRROLO[3,4-B]PYRROLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128758-05-4.gif)
