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CAS 55149-43-4 2-AMINO-6,7-DIMETHOXY-QUINOLINE-3-CARBOXYLIC ACID AMIDE molecular structure lightbox
CAS RN: 55149-43-4

2-AMINO-6,7-DIMETHOXY-QUINOLINE-3-CARBOXYLIC ACID AMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS55149-43-4
  • Purity/Analytical Methods: >99.0%
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55149-43-4 / 2-amino-6,7-dimethoxyquinoline-3-carboxamide

Standard CAS: 55149-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55149-43-4
Multi CAS
No
Molecular Formula
C12H13N3O3
Molecular Weight
247.250000
Exact Mass
247.095691
InChI
InChI=1S/C12H13N3O3/c1-17-9-4-6-3-7(12(14)16)11(13)15-8(6)5-10(9)18-2/h3-5H,1-2H3,(H2,13,15)(H2,14,16)
InChIKey
AAZKQXRGMFBMCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.78
TPSA
100.46

LogP / Solubility

WLOGP
0.93
MLOGP
0.83
XLogP3
1.2
Consensus LogP
0.99
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

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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