CAS RN: 1261230-56-1
1-(4-Fluoro-benzyl)-piperidine-4-carboxylic acid 4-fluoro-benzyl ester
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.20250630 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261230-56-1
- Purity/Analytical Methods: >99.0%
1261230-56-1 / (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate
Basic Information
CAS
1261230-56-1
Multi CAS
No
Molecular Formula
C20H21F2NO2
Molecular Weight
345.400000
Exact Mass
345.154035
SMILES
C1CN(CCC1C(=O)OCC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H21F2NO2/c21-18-5-1-15(2-6-18)13-23-11-9-17(10-12-23)20(24)25-14-16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
InChIKey
VFZJDZYBHCPUPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
90.6
TPSA
29.54
LogP / Solubility
WLOGP
3.92
MLOGP
3.47
XLogP3
3.8
Consensus LogP
3.73
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
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)
-2.04
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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