CAS RN: 351893-52-2
5-CHLORO-4-HYDROXY-8-METHYLQUINOLINE-3-CARBOXYLIC 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.20250115 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS351893-52-2
- Purity/Analytical Methods: >99.0%
351893-52-2 / ethyl 5-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylate
Basic Information
CAS
351893-52-2
Multi CAS
Yes
Molecular Formula
C13H12CLNO3
Molecular Weight
265.690000
Exact Mass
265.050571
InChI
InChI=1S/C13H12ClNO3/c1-3-18-13(17)8-6-15-11-7(2)4-5-9(14)10(11)12(8)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey
WTKGYGUNJMKMLV-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
3
H-bond donors
1
Molar refractivity
70.27
TPSA
59.16
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
3
Consensus LogP
2.67
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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