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CAS 28027-18-1 4-Hydroxy-8-methoxy-3-quinolinecarboxylic acid molecular structure lightbox
CAS RN: 28027-18-1

4-Hydroxy-8-methoxy-3-quinolinecarboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS28027-18-1
  • Purity/Analytical Methods: >99.0%
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28027-18-1 / 8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

Standard CAS: 28027-18-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28027-18-1
Multi CAS
No
Molecular Formula
C11H9NO4
Molecular Weight
219.190000
Exact Mass
219.053158
InChI
InChI=1S/C11H9NO4/c1-16-8-4-2-3-6-9(8)12-5-7(10(6)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
CDGYPATWKVOBIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.08
TPSA
79.39

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.8
Consensus LogP
1.37
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.18

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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