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CAS 885518-89-8 1H-Indol-4-ol, 6-broMo- molecular structure lightbox
CAS RN: 885518-89-8

1H-Indol-4-ol, 6-broMo-

  • Product code: SSC-199515
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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 885518-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

885518-89-8 / 6-bromo-1H-indol-4-ol

Standard CAS: 885518-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885518-89-8
Multi CAS
Yes
Molecular Formula
BC8H6ORn
Molecular Weight
212.040000
Exact Mass
210.963280
InChI
InChI=1S/C8H6BrNO/c9-5-3-7-6(1-2-10-7)8(11)4-5/h1-4,10-11H
InChIKey
HHYWLIRDFVYLRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
47.66
TPSA
36.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-2.14

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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