CAS RN: 56961-81-0
8-CHLORO-5-METHYLQUINOLINE
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.20260412 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56961-81-0
- Purity/Analytical Methods: >99.0%
56961-81-0 / 8-chloro-5-methylquinoline
Basic Information
CAS
56961-81-0
Multi CAS
No
Molecular Formula
C10H8CLN
Molecular Weight
177.630000
Exact Mass
177.034527
InChI
InChI=1S/C10H8ClN/c1-7-4-5-9(11)10-8(7)3-2-6-12-10/h2-6H,1H3
InChIKey
HWLMKLASYACBEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.49
TPSA
12.89
LogP / Solubility
WLOGP
3.2
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
