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CAS 1873-41-2 3-Quinolinecarboxylic acid, 1,2-dihydro-1-hydroxy-2-oxo-, ethyl ester molecular structure lightbox
CAS RN: 1873-41-2

3-Quinolinecarboxylic acid, 1,2-dihydro-1-hydroxy-2-oxo-, ethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1873-41-2
  • Purity/Analytical Methods: >99.0%
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1873-41-2 / ethyl 1-hydroxy-2-oxoquinoline-3-carboxylate

Standard CAS: 1873-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1873-41-2
Multi CAS
No
Molecular Formula
C12H11NO4
Molecular Weight
233.220000
Exact Mass
233.068808
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N(C1=O)O
InChI
InChI=1S/C12H11NO4/c1-2-17-12(15)9-7-8-5-3-4-6-10(8)13(16)11(9)14/h3-7,16H,2H2,1H3
InChIKey
LTTHZZFJIWEDBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.35
TPSA
68.53

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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