CAS RN: 757230-55-0
2-Naphthalenecarboxaldehyde,6-ethoxy-(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.20251201 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS757230-55-0
- Purity/Analytical Methods: >99.0%
757230-55-0 / 6-ethoxynaphthalene-2-carbaldehyde
Basic Information
CAS
757230-55-0
Multi CAS
No
Molecular Formula
C13H12O2
Molecular Weight
200.230000
Exact Mass
200.083730
InChI
InChI=1S/C13H12O2/c1-2-15-13-6-5-11-7-10(9-14)3-4-12(11)8-13/h3-9H,2H2,1H3
InChIKey
OSGZDTOUNPFJEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
60.5
TPSA
26.3
LogP / Solubility
WLOGP
3.05
MLOGP
2.68
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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