CAS RN: 58666-08-3
4,7-DICHLORO-8-METHYLQUINOLINE-3-CARBOXYLIC 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.20250222 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58666-08-3
- Purity/Analytical Methods: >99.0%
58666-08-3 / ethyl 4,7-dichloro-8-methylquinoline-3-carboxylate
Basic Information
CAS
58666-08-3
Multi CAS
Yes
Molecular Formula
C13H11CL2NO2
Molecular Weight
284.130000
Exact Mass
283.016684
InChI
InChI=1S/C13H11Cl2NO2/c1-3-18-13(17)9-6-16-12-7(2)10(14)5-4-8(12)11(9)15/h4-6H,3H2,1-2H3
InChIKey
UYCLNHQILNZPRZ-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
Molar refractivity
72.46
TPSA
39.19
LogP / Solubility
WLOGP
4.03
MLOGP
3.55
XLogP3
4
Consensus LogP
3.86
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
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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