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CAS 1000343-06-5 5-BROMO-6-IODOINDOLE molecular structure lightbox
CAS RN: 1000343-06-5

5-BROMO-6-IODOINDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000156
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1000343-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1000343-06-5 / 5-bromo-6-iodo-1H-indole

5-bromo-6-iodo-1H-indole | 1000343-06-5 | 5-Bromo-6-iodoindole

Standard CAS: 1000343-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000343-06-5
Multi CAS
No
Molecular Formula
C8H5BrIN
Molecular Weight
321.940000
Exact Mass
320.865010
SMILES
C1=CNC2=CC(=C(C=C21)Br)I
InChI
InChI=1S/C8H5BrIN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKey
PMBYXSFYQDBLEF-UHFFFAOYSA-N
Synonyms
5-bromo-6-iodo-1H-indole 1000343-06-5 5-Bromo-6-iodoindole 1H-Indole, 5-bromo-6-iodo- MFCD09880052

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
58.72
TPSA
15.79

LogP / Solubility

WLOGP
3.54
MLOGP
3.13
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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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