CAS RN: 160431-49-2

7-Methyl-1,2,3,4-tetrahydroquinolin-8-amine

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Batchno.20250321 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS160431-49-2
  • Purity/Analytical Methods: >99.0%
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160431-49-2 / 7-methyl-1,2,3,4-tetrahydroquinolin-8-amine

Standard CAS: 160431-49-2 Multi CAS: No

Basic Information

CAS
160431-49-2
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
CC1=C(C2=C(CCCN2)C=C1)N
InChI
InChI=1S/C10H14N2/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h4-5,12H,2-3,6,11H2,1H3
InChIKey
NXIPDLJDMOVORS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.4
TPSA
38.05

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.34

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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