CAS RN: 851984-49-1
1-NaphthaleneMethanaMine, 5,6,7,8-tetrahydro-α-Methyl-, (αR)-
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.20260612 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS851984-49-1
- Purity/Analytical Methods: >99.0%
851984-49-1 / 1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanamine
Basic Information
CAS
851984-49-1
Multi CAS
Yes
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
InChI
InChI=1S/C12H17N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h4,6,8-9H,2-3,5,7,13H2,1H3/t9-/m1/s1
InChIKey
BBIYYVNEPUDYHG-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.69
TPSA
26.02
LogP / Solubility
WLOGP
2.59
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
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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