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CAS 881219-73-4 1,2,3-Trimethyl-3H-benzo[e]indole molecular structure lightbox
CAS RN: 881219-73-4

1,2,3-Trimethyl-3H-benzo[e]indole

  • Product code: SSC-198595
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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: ＞97%
  • 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 881219-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

881219-73-4 / 1,2,3-trimethylbenzo[e]indole

Standard CAS: 881219-73-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
881219-73-4
Multi CAS
Yes
Molecular Formula
C15H15N
Molecular Weight
209.290000
Exact Mass
209.120449
InChI
InChI=1S/C15H15N/c1-10-11(2)16(3)14-9-8-12-6-4-5-7-13(12)15(10)14/h4-9H,1-3H3
InChIKey
KQMROBBTYFXFOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
69.9
TPSA
4.93

LogP / Solubility

WLOGP
3.95
MLOGP
3.48
XLogP3
4
Consensus LogP
3.81
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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)
-1.19

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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