CAS RN: 2414055-93-7
2-(Naphthalen-2-yl)ethanamine hydroiodide
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.20260525 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2414055-93-7
- Purity/Analytical Methods: >99.0%
2414055-93-7 / 2-naphthalen-2-ylethanamine;hydroiodide
Basic Information
CAS
2414055-93-7
Multi CAS
No
Molecular Formula
C12H14IN
Molecular Weight
299.150000
Exact Mass
299.017100
SMILES
C1=CC=C2C=C(C=CC2=C1)CCN.I
InChI
InChI=1S/C12H13N.HI/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10;/h1-6,9H,7-8,13H2;1H
InChIKey
XMOCIPQIIGYVEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.12
TPSA
26.02
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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