![CAS 569351-26-4 1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/569351-26-4.gif)
CAS RN: 569351-26-4
1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
- Product code: SSC-164975
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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
569351-26-4 / 1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
Basic Information
CAS
569351-26-4
Multi CAS
Yes
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c1-10-5-3-7-6-9-4-2-8(7)10/h3,5,9H,2,4,6H2,1H3
InChIKey
JLMLWTWDUVBDER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.82
TPSA
16.96
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.1
Consensus LogP
0.45
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.07
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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