[email protected]
CAS 17826-05-0 5,6-Dibromo-1H-indole-2,3-dione molecular structure lightbox
CAS RN: 17826-05-0

5,6-Dibromo-1H-indole-2,3-dione

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260304 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-078709
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 17826-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

17826-05-0 / 5,6-dibromo-1H-indole-2,3-dione

Standard CAS: 17826-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17826-05-0
Multi CAS
No
Molecular Formula
C8H3Br2NO2
Molecular Weight
304.920000
Exact Mass
304.851000
SMILES
C1=C2C(=CC(=C1Br)Br)NC(=O)C2=O
InChI
InChI=1S/C8H3Br2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChIKey
BHIYOAMJNNOSLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.8
TPSA
46.17

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
2.2
Consensus LogP
2.21
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

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

Customers Also Viewed

Get In Touch

Contact Us