![CAS 41532-84-7 1,1,2-Trimethyl-1H-benzo[e]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1714-jpgcontextbwfzdgvyfhjvb3r8mzc3odn8aw1hz2uvanblz3xomzevadcwlzg5mzi0oti3nzezntgvvde3mtquanbnfdaxmzq2owy0mgyzowe3mtu1mtq3yjfkmtgxyjg5yjzjyte3ztm3mzhlotqxntiwzmezytg3zdu5ntq4yjzingu.jpeg)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
41532-84-7 / 1,1,2-trimethylbenzo[e]indole
Basic Information
CAS
41532-84-7
Multi CAS
No
Molecular Formula
C15H15N
Molecular Weight
209.290000
Exact Mass
209.120449
InChI
InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
InChIKey
WJZSZXCWMATYFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.27
H-bond acceptors
1
Molar refractivity
69.74
TPSA
12.36
LogP / Solubility
WLOGP
4.22
MLOGP
3.72
XLogP3
3.5
Consensus LogP
3.81
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
