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CAS 184150-81-0 2-Ethyl-1H-indole-6-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 184150-81-0

2-Ethyl-1H-indole-6-carboxylic acid Methyl ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS184150-81-0
  • Purity/Analytical Methods: >99.0%
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184150-81-0 / methyl 2-ethyl-1H-indole-6-carboxylate

Standard CAS: 184150-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184150-81-0
Multi CAS
No
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
SMILES
CCC1=CC2=C(N1)C=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H13NO2/c1-3-10-6-8-4-5-9(12(14)15-2)7-11(8)13-10/h4-7,13H,3H2,1-2H3
InChIKey
DETYGYFLEMGFIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.02
TPSA
42.09

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.17

Drug-likeness / Medicinal Chemistry

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

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