CAS RN: 205040-59-1
7-Quinolinecarboxylicacid,5-bromo-8-hydroxy-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250519 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS205040-59-1
- Purity/Analytical Methods: >99.0%
205040-59-1 / 5-bromo-8-hydroxyquinoline-7-carboxylic acid
Basic Information
CAS
205040-59-1
Multi CAS
No
Molecular Formula
C10H6BrNO3
Molecular Weight
268.060000
Exact Mass
266.953110
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)O)Br
InChI
InChI=1S/C10H6BrNO3/c11-7-4-6(10(14)15)9(13)8-5(7)2-1-3-12-8/h1-4,13H,(H,14,15)
InChIKey
DJIAZMRXYMCZDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.07
TPSA
70.42
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.65
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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