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CAS 87-10-5 3,5,4′-Tribromosalicylanilide molecular structure lightbox
CAS RN: 87-10-5

3,5,4′-Tribromosalicylanilide

  • Product code: SSC-196389
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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: 25g
  • Available purity: ≥98%
  • 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 87-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

87-10-5 / 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide

Standard CAS: 87-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87-10-5
Multi CAS
Yes
Molecular Formula
C13H8BR3NO2
Molecular Weight
449.920000
Exact Mass
448.808470
InChI
InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
InChIKey
KVSKGMLNBAPGKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.6
TPSA
49.33

LogP / Solubility

WLOGP
4.93
MLOGP
4.37
XLogP3
5
Consensus LogP
4.77
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96

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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