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CAS 89976-15-8 7-Iodoindole molecular structure lightbox
CAS RN: 89976-15-8

7-Iodoindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS89976-15-8
  • Purity/Analytical Methods: >99.0%
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89976-15-8 / 7-iodo-1H-indole

Standard CAS: 89976-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89976-15-8
Multi CAS
No
Molecular Formula
C8H6In
Molecular Weight
243.040000
Exact Mass
242.954500
InChI
InChI=1S/C8H6IN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey
VBKAPLYISDSUCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
51.02
TPSA
15.79

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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