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CAS 84743-77-1 2-broMobenzene-1,3,5-triol molecular structure lightbox
CAS RN: 84743-77-1

2-broMobenzene-1,3,5-triol

  • Product code: SSC-192304
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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 84743-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

84743-77-1 / 2-bromobenzene-1,3,5-triol

Standard CAS: 84743-77-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84743-77-1
Multi CAS
Yes
Molecular Formula
C6H5BRO3
Molecular Weight
205.010000
Exact Mass
203.942210
InChI
InChI=1S/C6H5BrO3/c7-6-4(9)1-3(8)2-5(6)10/h1-2,8-10H
InChIKey
RGVMEFXEWVKCLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.14
TPSA
60.69

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

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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