CAS RN: 78509-29-2
4-CHLORO-2,7,8-TRIMETHYLQUINOLINE
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.20250309 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS78509-29-2
- Purity/Analytical Methods: >99.0%
78509-29-2 / 4-chloro-2,7,8-trimethylquinoline
Basic Information
CAS
78509-29-2
Multi CAS
No
Molecular Formula
C12H12CLN
Molecular Weight
205.680000
Exact Mass
205.065827
InChI
InChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKey
NDTSUKTWPJRMAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
1
Molar refractivity
60.96
TPSA
12.89
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
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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