CAS RN: 5156-83-2
2-Methyl-6-acetylnaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260220 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS5156-83-2
- Purity/Analytical Methods: >99.0%
5156-83-2 / 1-(6-methylnaphthalen-2-yl)ethanone
Basic Information
CAS
5156-83-2
Multi CAS
No
Molecular Formula
C13H12O
Molecular Weight
184.230000
Exact Mass
184.088815
InChI
InChI=1S/C13H12O/c1-9-3-4-13-8-11(10(2)14)5-6-12(13)7-9/h3-8H,1-2H3
InChIKey
SPAYGOAEIJHIDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
58.69
TPSA
17.07
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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