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CAS 67668-19-3 4-ethylnaphthalen-1-amine molecular structure lightbox
CAS RN: 67668-19-3

4-ethylnaphthalen-1-amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS67668-19-3
  • Purity/Analytical Methods: >99.0%
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67668-19-3 / 4-ethylnaphthalen-1-amine

Standard CAS: 67668-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67668-19-3
Multi CAS
No
Molecular Formula
C12H13N
Molecular Weight
171.240000
Exact Mass
171.104799
InChI
InChI=1S/C12H13N/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h3-8H,2,13H2,1H3
InChIKey
BCOWFSQIFGWBIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.74
TPSA
26.02

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
3.3
Consensus LogP
2.97
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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