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CAS 80566-25-2 3-ethyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide molecular structure lightbox
CAS RN: 80566-25-2

3-ethyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251006 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-189351
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80566-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

80566-25-2 / 3-ethyl-1,1,2-trimethylbenzo[e]indol-3-ium iodide

Standard CAS: 80566-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80566-25-2
Multi CAS
No
Molecular Formula
C17H20In
Molecular Weight
365.250000
Exact Mass
365.064050
InChI
InChI=1S/C17H20N.HI/c1-5-18-12(2)17(3,4)16-14-9-7-6-8-13(14)10-11-15(16)18;/h6-11H,5H2,1-4H3;1H/q+1;/p-1
InChIKey
BPKOQZARSBBQRG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
78.12
TPSA
3.01

LogP / Solubility

WLOGP
1.26
MLOGP
1.13
XLogP3
1.26
Consensus LogP
1.22
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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