CAS RN: 94134-18-6
6-PROPYL-2-METHOXYLNAPHTHALINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP927324
94134-18-6 / 2-methoxy-6-propylnaphthalene
Basic Information
CAS
94134-18-6
Multi CAS
Yes
Molecular Formula
C14H16O
Molecular Weight
200.280000
Exact Mass
200.120115
InChI
InChI=1S/C14H16O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h5-10H,3-4H2,1-2H3
InChIKey
DEMSTJLFNCGWTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
64.5
TPSA
9.23
LogP / Solubility
WLOGP
3.8
MLOGP
3.34
XLogP3
4.5
Consensus LogP
3.88
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
