![CAS 5631-35-6 1-[4,4-bis(4-fluorophenyl)butyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5631-35-6.gif)
CAS RN: 5631-35-6
1-[4,4-bis(4-fluorophenyl)butyl]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.20251031 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5631-35-6
- Purity/Analytical Methods: >99.0%
5631-35-6 / 1-[4,4-bis(4-fluorophenyl)butyl]piperazine
Basic Information
CAS
5631-35-6
Multi CAS
Yes
Molecular Formula
C20F2H24N2
Molecular Weight
330.400000
Exact Mass
330.190755
InChI
InChI=1S/C20H24F2N2/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24/h3-10,20,23H,1-2,11-15H2
InChIKey
XMRZXPIHMZRNQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
93.19
TPSA
15.27
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
-
4-Bromomethylquinoline
- CAS RN: 5632-16-6
- Product Code: starshine_CAS5632-16-6
- Purity/Analytical method: >99.0%
-
Quinazoline, 5,6,7,8-tetrahydro- (6CI,7CI,8CI,9CI)
- CAS RN: 5632-33-7
- Product Code: starshine_CAS5632-33-7
- Purity/Analytical method: >99.0%
