![CAS 675599-62-9 N-{4-[4-(2,3-Dichlorophenyl)-piperazin-1-yl]-trans-but-2-enyl}-4-(pyridin-2-yl)benzamide dihydrochloride hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/675599-62-9.gif)
CAS RN: 675599-62-9
N-{4-[4-(2,3-Dichlorophenyl)-piperazin-1-yl]-trans-but-2-enyl}-4-(pyridin-2-yl)benzamide dihydrochloride hydrate
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 100mg | Out of stock | Inquiry | |
| Batchno.20250502 | 10mg | In stock | Inquiry | |
| Batchno.20250307 | 1mg | In stock | Inquiry | |
| Batchno.20260305 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batchno.20250526 | 250mg | Out of stock | Inquiry | |
| Batchno.20250213 | 25mg | In stock | Inquiry | |
| Batchno.20250517 | 50mg | In stock | Inquiry | |
| Batchno.20250525 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS675599-62-9
- Purity/Analytical Methods: >99.0%
675599-62-9 / N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide;dihydrochloride
Basic Information
CAS
675599-62-9
Multi CAS
Yes
Molecular Formula
C26H28CL4N4O
Molecular Weight
554.300000
Exact Mass
554.098772
InChI
InChI=1S/C26H26Cl2N4O.2ClH/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23;;/h1-13H,14-19H2,(H,30,33);2*1H/b4-3+;;
InChIKey
DACFFMAXBWGOKQ-CZEFNJPISA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
150.76
TPSA
48.47
LogP / Solubility
WLOGP
6.01
MLOGP
5.33
XLogP3
6.01
Consensus LogP
5.78
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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