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CAS 57642-05-4 1-(1H-Indol-3-Yl)-2-Iodo-Ethanone molecular structure lightbox
CAS RN: 57642-05-4

1-(1H-Indol-3-Yl)-2-Iodo-Ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57642-05-4
  • Purity/Analytical Methods: >99.0%
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57642-05-4 / 1-(1H-indol-3-yl)-2-iodoethanone

Standard CAS: 57642-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57642-05-4
Multi CAS
No
Molecular Formula
C10H8InO
Molecular Weight
285.080000
Exact Mass
284.965060
InChI
InChI=1S/C10H8INO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKey
AABAZUKHVXELTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.52
TPSA
32.86

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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