CAS RN: 384821-06-1
ethyl 4-chloro-6-methoxy-8-methylquinoline-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.20250718 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS384821-06-1
- Purity/Analytical Methods: >99.0%
384821-06-1 / ethyl 4-chloro-6-methoxy-8-methylquinoline-3-carboxylate
Basic Information
CAS
384821-06-1
Multi CAS
No
Molecular Formula
C14H14CLNO3
Molecular Weight
279.720000
Exact Mass
279.066221
InChI
InChI=1S/C14H14ClNO3/c1-4-19-14(17)11-7-16-13-8(2)5-9(18-3)6-10(13)12(11)15/h5-7H,4H2,1-3H3
InChIKey
UVYAEJZOEOXLQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
74
TPSA
48.42
LogP / Solubility
WLOGP
3.38
MLOGP
2.99
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-2.03
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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