CAS RN: 179024-73-8
4-Chloro-8-Methoxyquinoline-3-caroboxylic acid
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.20250227 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS179024-73-8
- Purity/Analytical Methods: >99.0%
179024-73-8 / 4-chloro-8-methoxyquinoline-3-carboxylic acid
Basic Information
CAS
179024-73-8
Multi CAS
No
Molecular Formula
C11H8ClNO3
Molecular Weight
237.640000
Exact Mass
237.019271
SMILES
COC1=CC=CC2=C(C(=CN=C21)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO3/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H,14,15)
InChIKey
QMWBLZDPQJWVRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.26
TPSA
59.42
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.3
Consensus LogP
2.4
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-2.33
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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