CAS RN: 2765-18-6
1-N-PROPYLNAPHTHALENE
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.20250107 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2765-18-6
- Purity/Analytical Methods: >99.0%
2765-18-6 / 1-propylnaphthalene
Basic Information
CAS
2765-18-6
Multi CAS
No
Molecular Formula
C13H14
Molecular Weight
170.250000
Exact Mass
170.109550
InChI
InChI=1S/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3
InChIKey
HMAMGXMFMCAOPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
Molar refractivity
57.94
TPSA
0.0000
LogP / Solubility
WLOGP
3.79
MLOGP
3.33
XLogP3
4.9
Consensus LogP
4.01
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
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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