CAS RN: 43219-09-6
1-(2-CHLOROETHYL)-4-PHENYLPIPERAZINE
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.20260515 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS43219-09-6
- Purity/Analytical Methods: >99.0%
43219-09-6 / 1-(2-chloroethyl)-4-phenylpiperazine
Basic Information
CAS
43219-09-6
Multi CAS
Yes
Molecular Formula
C12H17CLN2
Molecular Weight
224.730000
Exact Mass
224.108026
InChI
InChI=1S/C12H17ClN2/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
NTIAVUBMOJPJPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
65.82
TPSA
6.48
LogP / Solubility
WLOGP
2.05
MLOGP
1.8
XLogP3
2.4
Consensus LogP
2.08
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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aMino]-1-[3-nitro-4-(phenylMethoxy)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/43229-66-9.gif)
