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CAS 10604-59-8 1-Ethyl-1H-indole molecular structure lightbox
CAS RN: 10604-59-8

1-Ethyl-1H-indole

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6 package records5 with current stock2 grade groups
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Batchno.20250308 1g In stock Inquiry
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  • Product code: starshine_CAS10604-59-8
  • Purity/Analytical Methods: >99.0%
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10604-59-8 / 1-ethylindole

1-Ethyl-1H-indole | 1-Ethylindole | N-Ethylindole

Standard CAS: 10604-59-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10604-59-8
Multi CAS
Yes
Molecular Formula
C10H11N
Molecular Weight
145.200000
Exact Mass
145.089149
SMILES
CCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C10H11N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-8H,2H2,1H3
InChIKey
QRRKZFCXXBFHSV-UHFFFAOYSA-N
Synonyms
1-Ethyl-1H-indole 1-Ethylindole N-Ethylindole Indole, 1-ethyl- H03CX1P47U

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.61
TPSA
4.93

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
3
Consensus LogP
2.67
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-1.72

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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