CAS RN: 1381767-10-7
Quinoline, 2-methoxy-3-(phenylmethyl)-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260621 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1381767-10-7
- Purity/Analytical Methods: >99.0%
1381767-10-7 / 3-benzyl-2-methoxyquinoline
Basic Information
CAS
1381767-10-7
Multi CAS
No
Molecular Formula
C17H15NO
Molecular Weight
249.310000
Exact Mass
249.115364
SMILES
COC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3
InChI
InChI=1S/C17H15NO/c1-19-17-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)18-17/h2-10,12H,11H2,1H3
InChIKey
DUWVHIVDJMUEGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
77.54
TPSA
22.12
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
4.4
Consensus LogP
3.87
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-1.52
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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