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CAS 259860-35-0 5-Fluoro-6-iodo-1H-indole molecular structure lightbox
CAS RN: 259860-35-0

5-Fluoro-6-iodo-1H-indole

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINF927128
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259860-35-0 / 5-fluoro-6-iodo-1H-indole

Standard CAS: 259860-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259860-35-0
Multi CAS
No
Molecular Formula
C8H5FIN
Molecular Weight
261.030000
Exact Mass
260.945070
SMILES
C1=CNC2=CC(=C(C=C21)F)I
InChI
InChI=1S/C8H5FIN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKey
GEAPQCVRUKYWRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.97
TPSA
15.79

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
2.8
Consensus LogP
2.76
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.25

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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