CAS RN: 918518-76-0
3-benzyl-2,6-dimethoxyquinoline
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.20250521 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS918518-76-0
- Purity/Analytical Methods: >99.0%
918518-76-0 / 3-benzyl-2,6-dimethoxyquinoline
Basic Information
CAS
918518-76-0
Multi CAS
No
Molecular Formula
C18H17NO2
Molecular Weight
279.300000
Exact Mass
279.125929
InChI
InChI=1S/C18H17NO2/c1-20-16-8-9-17-14(12-16)11-15(18(19-17)21-2)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKey
LDUXRVAGLBQABP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
84.1
TPSA
31.35
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
4.4
Consensus LogP
3.88
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-1.7
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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