CAS RN: 24225-89-6
1,4-dibenzyl-2-(chloroMethyl)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.20250212 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS24225-89-6
- Purity/Analytical Methods: >99.0%
24225-89-6 / 1,4-dibenzyl-2-(chloromethyl)piperazine
Basic Information
CAS
24225-89-6
Multi CAS
No
Molecular Formula
C19H23ClN2
Molecular Weight
314.900000
Exact Mass
314.154976
SMILES
C1CN(C(CN1CC2=CC=CC=C2)CCl)CC3=CC=CC=C3
InChI
InChI=1S/C19H23ClN2/c20-13-19-16-21(14-17-7-3-1-4-8-17)11-12-22(19)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKey
LPECDQDHFCOVSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
93.08
TPSA
6.48
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
3.7
Consensus LogP
3.5
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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