CAS RN: 5665-23-6
2-Naphthalenecarboxaldehyde,7-methoxy-(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.20260608 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5665-23-6
- Purity/Analytical Methods: >99.0%
5665-23-6 / 7-methoxynaphthalene-2-carbaldehyde
Basic Information
CAS
5665-23-6
Multi CAS
No
Molecular Formula
C12H10O2
Molecular Weight
186.210000
Exact Mass
186.068080
InChI
InChI=1S/C12H10O2/c1-14-12-5-4-10-3-2-9(8-13)6-11(10)7-12/h2-8H,1H3
InChIKey
MLFCHYYDLUDPLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.89
TPSA
26.3
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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