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CAS 51726-83-1 4-OXO-1,4-DIHYDROBENZO[H]QUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 51726-83-1

4-OXO-1,4-DIHYDROBENZO[H]QUINOLINE-3-CARBOXYLIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS51726-83-1
  • Purity/Analytical Methods: >99.0%
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51726-83-1 / 4-oxo-1H-benzo[h]quinoline-3-carboxylic acid

Standard CAS: 51726-83-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51726-83-1
Multi CAS
Yes
Molecular Formula
C14H9NO3
Molecular Weight
239.230000
Exact Mass
239.058243
InChI
InChI=1S/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKey
QGOKEDVMXJBTAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.03
TPSA
70.16

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
3.1
Consensus LogP
2.53
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.49

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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