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CAS 115666-47-2 6-IODOINDOLE molecular structure lightbox
CAS RN: 115666-47-2

6-IODOINDOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-015455
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115666-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shanghai Inquiry
1g >95% 4 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Shenzhen Inquiry

115666-47-2 / 6-iodo-1H-indole

6-iodo-1H-indole | DTXSID60451352 | RefChem:308626

Standard CAS: 115666-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115666-47-2
Multi CAS
Yes
Molecular Formula
C8H6IN
Molecular Weight
243.040000
Exact Mass
242.954500
SMILES
C1=CC(=CC2=C1C=CN2)I
InChI
InChI=1S/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey
UYFYWUXBZHYQRM-UHFFFAOYSA-N
Synonyms
6-iodo-1H-indole DTXSID60451352 RefChem:308626 DTXCID50402171 6-Iodoindole

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
3.6
Consensus LogP
2.94
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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