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CAS 87199-82-4 6,7-dimethoxyquinolin-3-amine molecular structure lightbox
CAS RN: 87199-82-4

6,7-dimethoxyquinolin-3-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS87199-82-4
  • Purity/Analytical Methods: >99.0%
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87199-82-4 / 6,7-dimethoxyquinolin-3-amine

Standard CAS: 87199-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87199-82-4
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
InChI
InChI=1S/C11H12N2O2/c1-14-10-4-7-3-8(12)6-13-9(7)5-11(10)15-2/h3-6H,12H2,1-2H3
InChIKey
KUURJKFCQSUOFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.26
TPSA
57.37

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

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