CAS RN: 53815-56-8
6-Bromo-2-hydroxy-1-naphthaldehyde
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.20260605 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53815-56-8
- Purity/Analytical Methods: >99.0%
53815-56-8 / 6-bromo-2-hydroxynaphthalene-1-carbaldehyde
Basic Information
CAS
53815-56-8
Multi CAS
No
Molecular Formula
C11H7BRO2
Molecular Weight
251.080000
Exact Mass
249.962940
InChI
InChI=1S/C11H7BrO2/c12-8-2-3-9-7(5-8)1-4-11(14)10(9)6-13/h1-6,14H
InChIKey
GSZLSWQEDNSDKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.7
TPSA
37.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.5
Consensus LogP
3.12
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-2.04
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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