CAS RN: 63136-14-1
8-ETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS63136-14-1
- Purity/Analytical Methods: >99.0%
63136-14-1 / ethyl 8-ethyl-4-oxo-1H-quinoline-3-carboxylate
Basic Information
CAS
63136-14-1
Multi CAS
Yes
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
InChI
InChI=1S/C14H15NO3/c1-3-9-6-5-7-10-12(9)15-8-11(13(10)16)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKey
IXXFUMUBUIACJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.9
TPSA
59.16
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.61
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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