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CAS 232-84-8 3H-Benz[e]indole molecular structure lightbox
CAS RN: 232-84-8

3H-Benz[e]indole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-112759
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 232-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry

232-84-8 / 3H-benzo[e]indole

Standard CAS: 232-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
232-84-8
Multi CAS
No
Molecular Formula
C12H9N
Molecular Weight
167.210000
Exact Mass
167.073499
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CN3
InChI
InChI=1S/C12H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-8,13H
InChIKey
ALGIYXGLGIECNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
13
H-bond donors
1
Molar refractivity
55.8
TPSA
15.79

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

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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