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CAS 187326-67-6 4,6-DIBROMO ISATIN molecular structure lightbox
CAS RN: 187326-67-6

4,6-DIBROMO ISATIN

  • Product code: SSC-087076
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • 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 187326-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

187326-67-6 / 4,6-dibromo-1H-indole-2,3-dione

Standard CAS: 187326-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187326-67-6
Multi CAS
No
Molecular Formula
C8H3Br2NO2
Molecular Weight
304.920000
Exact Mass
304.851000
SMILES
C1=C(C=C(C2=C1NC(=O)C2=O)Br)Br
InChI
InChI=1S/C8H3Br2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
InChIKey
UGFPBMXSBFXNBX-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
2.1
Consensus LogP
2.18
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

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