CAS RN: 56824-88-5
ETHYL 4-CHLORO-7,8-DIMETHYLQUINOLINE-3-CARBOXYLATE
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.20250813 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS56824-88-5
- Purity/Analytical Methods: >99.0%
56824-88-5 / ethyl 4-chloro-7,8-dimethylquinoline-3-carboxylate
Basic Information
CAS
56824-88-5
Multi CAS
No
Molecular Formula
C14H14CLNO2
Molecular Weight
263.720000
Exact Mass
263.071306
InChI
InChI=1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)8(2)5-6-10(13)12(11)15/h5-7H,4H2,1-3H3
InChIKey
YOXOUHZNQVMBBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.18
TPSA
39.19
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly 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)
-1.71
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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