CAS RN: 73568-26-0
2-CHLORO-8-METHYL-3-QUINOLINE CARBOXALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS73568-26-0
- Purity/Analytical Methods: >99.0%
73568-26-0 / 2-chloro-8-methylquinoline-3-carbaldehyde
Basic Information
CAS
73568-26-0
Multi CAS
Yes
Molecular Formula
C11H8CLNO
Molecular Weight
205.640000
Exact Mass
205.029442
InChI
InChI=1S/C11H8ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-6H,1H3
InChIKey
YPBRSXNRWFUUOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.88
TPSA
29.96
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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