![CAS 945906-86-5 Piperazine, 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-, dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/945906-86-5.png)
CAS RN: 945906-86-5
Piperazine, 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-, dihydrochloride
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.20250429 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: LINP929941
945906-86-5 / 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
Basic Information
CAS
945906-86-5
Multi CAS
No
Molecular Formula
C22H31CL3N2O3
Molecular Weight
477.800000
Exact Mass
476.140026
InChI
InChI=1S/C22H29ClN2O3.2ClH/c1-26-21-8-3-18(17-22(21)27-2)9-10-24-11-13-25(14-12-24)15-16-28-20-6-4-19(23)5-7-20;;/h3-8,17H,9-16H2,1-2H3;2*1H
InChIKey
YROBOMHLARRCGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
127.57
TPSA
34.17
LogP / Solubility
WLOGP
4.44
MLOGP
3.94
XLogP3
4.44
Consensus LogP
4.27
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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