CAS RN: 223418-56-2
1-NaphthaleneMethanaMine, α-ethyl-
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.20260223 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS223418-56-2
- Purity/Analytical Methods: >99.0%
223418-56-2 / 1-naphthalen-1-ylpropan-1-amine
Basic Information
CAS
223418-56-2
Multi CAS
No
Molecular Formula
C13H15N
Molecular Weight
185.260000
Exact Mass
185.120449
SMILES
CCC(C1=CC=CC2=CC=CC=C21)N
InChI
InChI=1S/C13H15N/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2,14H2,1H3
InChIKey
JJYPGFPZTOUPHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.17
TPSA
26.02
LogP / Solubility
WLOGP
3.25
MLOGP
2.86
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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