CAS RN: 85273-95-6
2-((2-(dimethylamino)ethyl)thio)-3-phenylquinoline
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.20260114 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS85273-95-6
- Purity/Analytical Methods: >99.0%
85273-95-6 / N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine
Basic Information
CAS
85273-95-6
Multi CAS
No
Molecular Formula
C19H20N2S
Molecular Weight
308.400000
Exact Mass
308.134720
InChI
InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3
InChIKey
HYOLQGVNMQNERE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
96.46
TPSA
16.13
LogP / Solubility
WLOGP
4.56
MLOGP
4.02
XLogP3
4.7
Consensus LogP
4.43
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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