CAS RN: 144734-36-1
4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)PIPERIDINE OXALATE
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.20250124 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS144734-36-1
- Purity/Analytical Methods: >99.0%
144734-36-1 / (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone;oxalic acid
Basic Information
CAS
144734-36-1
Multi CAS
No
Molecular Formula
C24H28FNO5
Molecular Weight
429.500000
Exact Mass
429.195151
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCCC3=CC=CC=C3.C(=O)(C(=O)O)O
InChI
InChI=1S/C22H26FNO.C2H2O4/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-3,6-7,9-12,20H,4-5,8,13-17H2;(H,3,4)(H,5,6)
InChIKey
VUJYJCRJPFMHEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
114.55
TPSA
94.91
LogP / Solubility
WLOGP
3.9
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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