CAS RN: 885687-82-1
5-broMo-2-Methoxyquinoline-8-carbaldehyde
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.20250407 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885687-82-1
- Purity/Analytical Methods: >99.0%
885687-82-1 / 5-bromo-2-methoxyquinoline-8-carbaldehyde
Basic Information
CAS
885687-82-1
Multi CAS
No
Molecular Formula
BC11H8O2Rn
Molecular Weight
266.090000
Exact Mass
264.973840
InChI
InChI=1S/C11H8BrNO2/c1-15-10-5-3-8-9(12)4-2-7(6-14)11(8)13-10/h2-6H,1H3
InChIKey
IGLZFFUNRZEBSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.38
TPSA
39.19
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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