![CAS 2047-91-8 1,2,3,4-Tetrahydrocyclopenta[b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3116-jpgcontextbwfzdgvyfhjvb3r8mzyxnzh8aw1hz2uvanblz3xomdmvadg1lzg5mzi2nja2nzq1otavvdmxmtyuanbnfda0ntvky2e2ota3zwu2yjk4zmuynja4zwrknmywntizymy0mda2nzy3mdqyy2finjq0ztyzywrmnty3ymmynwm.jpeg)
CAS RN: 2047-91-8
1,2,3,4-Tetrahydrocyclopenta[b]indole
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-096361
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 | Shenzhen | Inquiry |
2047-91-8 / 1,2,3,4-tetrahydrocyclopenta[b]indole
Basic Information
CAS
2047-91-8
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
SMILES
C1CC2=C(C1)NC3=CC=CC=C23
InChI
InChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,12H,3,5,7H2
InChIKey
HZDXFZHFEASSBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond donors
1
Molar refractivity
50.32
TPSA
15.79
LogP / Solubility
WLOGP
2.66
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
