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CAS 90766-88-4 N-ACETYL-5-BROMO-6-CHLORO-3-HYDROXYINDOLE molecular structure lightbox
CAS RN: 90766-88-4

N-ACETYL-5-BROMO-6-CHLORO-3-HYDROXYINDOLE

  • Product code: SSC-203395
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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 90766-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

90766-88-4 / 1-(5-bromo-6-chloro-3-hydroxyindol-1-yl)ethanone

Standard CAS: 90766-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90766-88-4
Multi CAS
No
Molecular Formula
C10H7BRCLNO2
Molecular Weight
288.520000
Exact Mass
286.934870
InChI
InChI=1S/C10H7BrClNO2/c1-5(14)13-4-10(15)6-2-7(11)8(12)3-9(6)13/h2-4,15H,1H3
InChIKey
WBHWTHITARKRRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.61
TPSA
42.23

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-2.05

Drug-likeness / Medicinal Chemistry

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

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