![CAS 851472-82-7 1-[BIS(4-FLUOROPHENYL)METHYL]-4-(4-NITROPHENYL)PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851472-82-7.gif)
CAS RN: 851472-82-7
1-[BIS(4-FLUOROPHENYL)METHYL]-4-(4-NITROPHENYL)PIPERAZINE
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.20250319 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS851472-82-7
- Purity/Analytical Methods: >99.0%
851472-82-7 / 1-[bis(4-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazine
Basic Information
CAS
851472-82-7
Multi CAS
No
Molecular Formula
C23F2H21N3O2
Molecular Weight
409.400000
Exact Mass
409.160183
InChI
InChI=1S/C23H21F2N3O2/c24-19-5-1-17(2-6-19)23(18-3-7-20(25)8-4-18)27-15-13-26(14-16-27)21-9-11-22(12-10-21)28(29)30/h1-12,23H,13-16H2
InChIKey
FBFXCJOAEITJHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
111.53
TPSA
49.62
LogP / Solubility
WLOGP
4.78
MLOGP
4.24
XLogP3
5.1
Consensus LogP
4.71
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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