CAS RN: 948573-54-4
8-CHLORO-4-OXO-1,4-DIHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL 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.20250324 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS948573-54-4
- Purity/Analytical Methods: >99.0%
948573-54-4 / methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
Basic Information
CAS
948573-54-4
Multi CAS
Yes
Molecular Formula
C11H8CLNO3
Molecular Weight
237.640000
Exact Mass
237.019271
InChI
InChI=1S/C11H8ClNO3/c1-16-11(15)7-3-2-6-8(14)4-5-13-10(6)9(7)12/h2-5H,1H3,(H,13,14)
InChIKey
UERUOGNUVCRUFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.92
TPSA
59.16
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
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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