CAS RN: 6717-00-6
1-BENZYL-4-(4-METHOXY-PHENYL)-PIPERIDIN-4-OL
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.20260512 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6717-00-6
- Purity/Analytical Methods: >99.0%
6717-00-6 / 1-benzyl-4-(4-methoxyphenyl)piperidin-4-ol
Basic Information
CAS
6717-00-6
Multi CAS
No
Molecular Formula
C19H23NO2
Molecular Weight
297.400000
Exact Mass
297.172879
InChI
InChI=1S/C19H23NO2/c1-22-18-9-7-17(8-10-18)19(21)11-13-20(14-12-19)15-16-5-3-2-4-6-16/h2-10,21H,11-15H2,1H3
InChIKey
XRTONVAVTOLDRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.84
TPSA
32.7
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
![CAS 6720-26-9 2′-FORMYL[1,1′-BIPHENYL]-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6720-26-9.gif)
