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CAS 115581-09-4 5-Bromo-6-quinolinol molecular structure lightbox
CAS RN: 115581-09-4

5-Bromo-6-quinolinol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-015335
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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 115581-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

115581-09-4 / 5-bromoquinolin-6-ol

5-bromoquinolin-6-ol | 5-Bromo-6-quinolinol | 6-Quinolinol, 5-bromo-

Standard CAS: 115581-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
115581-09-4
Multi CAS
No
Molecular Formula
C9H6BrNO
Molecular Weight
224.050000
Exact Mass
222.963280
SMILES
C1=CC2=C(C=CC(=C2Br)O)N=C1
InChI
InChI=1S/C9H6BrNO/c10-9-6-2-1-5-11-7(6)3-4-8(9)12/h1-5,12H
InChIKey
HQEFDTSINGDBKQ-UHFFFAOYSA-N
Synonyms
5-bromoquinolin-6-ol 5-Bromo-6-quinolinol 6-Quinolinol, 5-bromo- MFCD01463243 SCHEMBL8745778

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.11
TPSA
33.12

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.5
Consensus LogP
2.53
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.17

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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