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CAS 151409-82-4 1-(2-METHOXY-ETHYL)-1H-INDOLE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 151409-82-4

1-(2-METHOXY-ETHYL)-1H-INDOLE-3-CARBALDEHYDE

  • Product code: SSC-061257
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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, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 151409-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

151409-82-4 / 1-(2-methoxyethyl)indole-3-carbaldehyde

Standard CAS: 151409-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151409-82-4
Multi CAS
No
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
SMILES
COCCN1C=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C12H13NO2/c1-15-7-6-13-8-10(9-14)11-4-2-3-5-12(11)13/h2-5,8-9H,6-7H2,1H3
InChIKey
WHEOMQTYIHCDTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
59.2
TPSA
31.23

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.2
Consensus LogP
1.72
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately 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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

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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