![CAS 1092836-79-7 1H-Benz[e]indole, 2-ethyl-1,1-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092836-79-7.gif)
CAS RN: 1092836-79-7
1H-Benz[e]indole, 2-ethyl-1,1-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-010524
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 | Hong Kong | Inquiry |
1092836-79-7 / 2-ethyl-1,1-dimethylbenzo[e]indole
2-Ethyl-1,1-dimethyl-1H-benzo[e]indole | 2-ethyl-1,1-dimethylbenzo[e]indole | MFCD31697920
Basic Information
CAS
1092836-79-7
Multi CAS
No
Molecular Formula
C16H17N
Molecular Weight
223.310000
Exact Mass
223.136100
SMILES
CCC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2
InChI
InChI=1S/C16H17N/c1-4-14-16(2,3)15-12-8-6-5-7-11(12)9-10-13(15)17-14/h5-10H,4H2,1-3H3
InChIKey
XVJKXUCAQIPBRJ-UHFFFAOYSA-N
Synonyms
2-Ethyl-1,1-dimethyl-1H-benzo[e]indole
2-ethyl-1,1-dimethylbenzo[e]indole
MFCD31697920
SCHEMBL11947486
2-ethyl-1,1-dimethyl-benzo[e]indole
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.36
TPSA
12.36
LogP / Solubility
WLOGP
4.61
MLOGP
4.06
XLogP3
4
Consensus LogP
4.22
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-0.81
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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