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CAS 83407-38-9 6-Quinolinamine, N-methyl- molecular structure lightbox
CAS RN: 83407-38-9

6-Quinolinamine, N-methyl-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS83407-38-9
  • Purity/Analytical Methods: >99.0%
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83407-38-9 / N-methylquinolin-6-amine

Standard CAS: 83407-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83407-38-9
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
InChI
InChI=1S/C10H10N2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-7,11H,1H3
InChIKey
XXTCHBBZIBFUCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.29
TPSA
24.92

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.07

Drug-likeness / Medicinal Chemistry

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

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