CAS RN: 57513-54-9
1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57513-54-9
- Purity/Analytical Methods: >99.0%
57513-54-9 / ethyl 4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
Basic Information
CAS
57513-54-9
Multi CAS
Yes
Molecular Formula
C13H13NO4
Molecular Weight
247.250000
Exact Mass
247.084458
InChI
InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,15H,3H2,1-2H3
InChIKey
IGIHLDXSSGANGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.81
TPSA
68.53
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1.9
Consensus LogP
1.53
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.22
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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