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CAS 1009-27-4 2-Ethoxy-1H-indole molecular structure lightbox
CAS RN: 1009-27-4

2-Ethoxy-1H-indole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260211 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251003 1g In stock Shanghai Inquiry
Batchno.20250414 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1009-27-4
  • Purity/Analytical Methods: >99.0%
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1009-27-4 / 2-ethoxy-1H-indole

1H-Indole, 2-ethoxy- | DTXSID10484559 | RefChem:238742

Standard CAS: 1009-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1009-27-4
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CCOC1=CC2=CC=CC=C2N1
InChI
InChI=1S/C10H11NO/c1-2-12-10-7-8-5-3-4-6-9(8)11-10/h3-7,11H,2H2,1H3
InChIKey
LKEJIEFLJHCIAK-UHFFFAOYSA-N
Synonyms
1H-Indole, 2-ethoxy- DTXSID10484559 RefChem:238742 DTXCID10435369 2-Ethoxy-1H-indole

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.47
TPSA
25.02

LogP / Solubility

WLOGP
2.57
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-1.88

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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