CAS RN: 687637-87-2
8-(benzyloxy)-2-phenylquinoline(WXC09050)
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.20260525 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS687637-87-2
- Purity/Analytical Methods: >99.0%
687637-87-2 / 2-phenyl-8-phenylmethoxyquinoline
Basic Information
CAS
687637-87-2
Multi CAS
No
Molecular Formula
C22H17NO
Molecular Weight
311.400000
Exact Mass
311.131014
InChI
InChI=1S/C22H17NO/c1-3-8-17(9-4-1)16-24-21-13-7-12-19-14-15-20(23-22(19)21)18-10-5-2-6-11-18/h1-15H,16H2
InChIKey
QKWMRLHKNGTVPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
97.95
TPSA
22.12
LogP / Solubility
WLOGP
5.48
MLOGP
4.84
XLogP3
5.2
Consensus LogP
5.17
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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