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CAS 78225-46-4 3-BROMO-7-CHLOROINDOLE molecular structure lightbox
CAS RN: 78225-46-4

3-BROMO-7-CHLOROINDOLE

  • Product code: SSC-187694
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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: ≥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 78225-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

78225-46-4 / 3-bromo-7-chloro-1H-indole

Standard CAS: 78225-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78225-46-4
Multi CAS
No
Molecular Formula
C8H5BRCLN
Molecular Weight
230.490000
Exact Mass
228.929390
InChI
InChI=1S/C8H5BrClN/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4,11H
InChIKey
UYTCAWQZFCASCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
51.01
TPSA
15.79

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.4
Consensus LogP
3.38
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-1.58

Drug-likeness / Medicinal Chemistry

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

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