CAS RN: 896046-85-8
1-(3-FLUOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
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.20260417 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS896046-85-8
- Purity/Analytical Methods: >99.0%
896046-85-8 / 1-[(3-fluorophenyl)methyl]piperidine-3-carboxylic acid
Basic Information
CAS
896046-85-8
Multi CAS
No
Molecular Formula
C13FH16NO2
Molecular Weight
237.270000
Exact Mass
237.116507
InChI
InChI=1S/C13H16FNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-15)13(16)17/h1,3,5,7,11H,2,4,6,8-9H2,(H,16,17)
InChIKey
VWUDHUJSDJLKJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.04
TPSA
40.54
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
-0.4
Consensus LogP
1.2
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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