![CAS 55970-05-3 1,2-Dimethyl-3H-benzo[e]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5163-jpgcontextbwfzdgvyfhjvb3r8mzuzmtv8aw1hz2uvanblz3xoowmvadjjlzg5mzaznja1ntc1otgvrduxnjmuanbnfdy1mgvjzgy5ytjjmjkzyzuznzizzjlkogyxndy0oddmnmrimtg2nzlinjhiy2q1y2exmgrlognjngnkotzkzjm.jpeg)
CAS RN: 55970-05-3
1,2-Dimethyl-3H-benzo[e]indole
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-163906
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 |
55970-05-3 / 1,2-dimethyl-3H-benzo[e]indole
Basic Information
CAS
55970-05-3
Multi CAS
Yes
Molecular Formula
C14H13N
Molecular Weight
195.260000
Exact Mass
195.104799
InChI
InChI=1S/C14H13N/c1-9-10(2)15-13-8-7-11-5-3-4-6-12(11)14(9)13/h3-8,15H,1-2H3
InChIKey
JLIDRDJNLAWIKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.14
H-bond donors
1
Molar refractivity
65.28
TPSA
15.79
LogP / Solubility
WLOGP
3.94
MLOGP
3.46
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
