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CAS 68742-29-0 1H-Indole-3-carboxaldehyde, 5-ethyl- molecular structure lightbox
CAS RN: 68742-29-0

1H-Indole-3-carboxaldehyde, 5-ethyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-178424
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 68742-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

68742-29-0 / 5-ethyl-1H-indole-3-carbaldehyde

Standard CAS: 68742-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68742-29-0
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
InChI
InChI=1S/C11H11NO/c1-2-8-3-4-11-10(5-8)9(7-13)6-12-11/h3-7,12H,2H2,1H3
InChIKey
LXKOWVABTZEEJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.06
TPSA
32.86

LogP / Solubility

WLOGP
2.54
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-1.97

Drug-likeness / Medicinal Chemistry

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

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