CAS RN: 63444-51-9
6-Methoxy-2-vinylnaphthalene
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20260106 |
100mg / 250mg / 1g / 5g |
Confirm by inquiry |
Shanghai | Inquiry |
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Product code:
starshine_CAS63444-51-9
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Purity/Analytical Methods:
>99.0%
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63444-51-9 / 2-ethenyl-6-methoxynaphthalene
Standard CAS: 63444-51-9
Multi CAS: No
Basic Information
CAS
63444-51-9
Multi CAS
No
Molecular Formula
C13H12O
Molecular Weight
184.230000
Exact Mass
184.088815
InChI
InChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3
InChIKey
DGQUMYDUFBBKPK-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
1
Molar refractivity
60.59
TPSA
9.23
LogP / Solubility
WLOGP
3.49
MLOGP
3.07
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5