CAS RN: 892874-60-1
8-CHLOROQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL 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.20260223 | 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS892874-60-1
- Purity/Analytical Methods: >99.0%
892874-60-1 / diethyl 8-chloroquinoline-2,3-dicarboxylate
Basic Information
CAS
892874-60-1
Multi CAS
No
Molecular Formula
C15H14CLNO4
Molecular Weight
307.730000
Exact Mass
307.061136
InChI
InChI=1S/C15H14ClNO4/c1-3-20-14(18)10-8-9-6-5-7-11(16)12(9)17-13(10)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKey
YBUQJEUWEYOPBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
78.67
TPSA
65.49
LogP / Solubility
WLOGP
3.24
MLOGP
2.87
XLogP3
3.6
Consensus LogP
3.24
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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