CAS RN: 522-19-0

MACULOSIDINE

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Batchno.20250703 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS522-19-0
  • Purity/Analytical Methods: >99.0%
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522-19-0 / 4,6,8-trimethoxyfuro[2,3-b]quinoline

Standard CAS: 522-19-0 Multi CAS: Yes

Basic Information

CAS
522-19-0
Multi CAS
Yes
Molecular Formula
C14H13NO4
Molecular Weight
259.260000
Exact Mass
259.084458
InChI
InChI=1S/C14H13NO4/c1-16-8-6-10-12(11(7-8)17-2)15-14-9(4-5-19-14)13(10)18-3/h4-7H,1-3H3
InChIKey
SHAVHFJCSQWTFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
71.17
TPSA
53.72

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.82
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

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

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