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CAS 142769-27-5 5,6-DIMETHOXY-1H-INDOLE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 142769-27-5

5,6-DIMETHOXY-1H-INDOLE-3-CARBALDEHYDE

  • Product code: SSC-053997
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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: 1g
  • 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 142769-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

142769-27-5 / 5,6-dimethoxy-1H-indole-3-carbaldehyde

Standard CAS: 142769-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142769-27-5
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
COC1=C(C=C2C(=C1)C(=CN2)C=O)OC
InChI
InChI=1S/C11H11NO3/c1-14-10-3-8-7(6-13)5-12-9(8)4-11(10)15-2/h3-6,12H,1-2H3
InChIKey
KANXUNBQBBJFAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.79
TPSA
51.32

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.55

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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