CAS RN: 333408-44-9
2-CHLORO-6,7-DIMETHYLQUINOLINE-3-METHANOL
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.20260115 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS333408-44-9
- Purity/Analytical Methods: >99.0%
333408-44-9 / (2-chloro-6,7-dimethylquinolin-3-yl)methanol
Basic Information
CAS
333408-44-9
Multi CAS
No
Molecular Formula
C12H12CLNO
Molecular Weight
221.680000
Exact Mass
221.060742
InChI
InChI=1S/C12H12ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-5,15H,6H2,1-2H3
InChIKey
FVHRDDVYXFKXKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.15
TPSA
33.12
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-1.94
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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