![CAS 1420816-71-2 4-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420816-71-2.gif)
CAS RN: 1420816-71-2
4-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl 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.20251004 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420816-71-2
- Purity/Analytical Methods: >99.0%
1420816-71-2 / tert-butyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate
Basic Information
CAS
1420816-71-2
Multi CAS
No
Molecular Formula
C24H28FN3O2
Molecular Weight
409.500000
Exact Mass
409.216555
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
InChI
InChI=1S/C24H28FN3O2/c1-24(2,3)30-23(29)27-14-12-18(13-15-27)22-26-20-6-4-5-7-21(20)28(22)16-17-8-10-19(25)11-9-17/h4-11,18H,12-16H2,1-3H3
InChIKey
FQRXXMUFCLNEEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
115.02
TPSA
47.36
LogP / Solubility
WLOGP
5.34
MLOGP
4.72
XLogP3
4.6
Consensus LogP
4.89
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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