![CAS 1260381-52-9 1H-Pyrrolo[2,3-c]pyridine, 5-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260381-52-9.gif)
CAS RN: 1260381-52-9
1H-Pyrrolo[2,3-c]pyridine, 5-Methyl-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-031555
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1260381-52-9 / 5-methyl-1H-pyrrolo[2,3-c]pyridine
Basic Information
CAS
1260381-52-9
Multi CAS
No
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
SMILES
CC1=CC2=C(C=N1)NC=C2
InChI
InChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)5-10-6/h2-5,9H,1H3
InChIKey
ZYGLVDPTWXJGKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.83
TPSA
28.68
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
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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1H-Pyrrolo[2,3-c]pyridine, 5-chloro-4-fluoro-
- CAS RN: 1260382-02-2
- Product Code: starshine_CAS1260382-02-2
- Purity/Analytical method: >99.0%
![CAS 1260382-02-2 1H-Pyrrolo[2,3-c]pyridine, 5-chloro-4-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260382-02-2.gif)