CAS RN: 1185319-87-2
1-(4-Chloro-phenyl)-2-piperazin-1-yl-ethanol hydrochloride
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.20260314 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-87-2
- Purity/Analytical Methods: >99.0%
1185319-87-2 / 1-(4-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
1-(4-Chloro-phenyl)-2-piperazin-1-yl-ethanol hydrochloride | 1-(4-Chlorophenyl)-2-(piperazin-1-yl)ethanol hydrochloride | 1-(4-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
Basic Information
CAS
1185319-87-2
Multi CAS
No
Molecular Formula
C12H18Cl2N2O
Molecular Weight
277.190000
Exact Mass
276.079619
SMILES
C1CN(CCN1)CC(C2=CC=C(C=C2)Cl)O.Cl
InChI
InChI=1S/C12H17ClN2O.ClH/c13-11-3-1-10(2-4-11)12(16)9-15-7-5-14-6-8-15;/h1-4,12,14,16H,5-9H2;1H
InChIKey
BWKSQJSHPNYRGR-UHFFFAOYSA-N
Synonyms
1-(4-Chloro-phenyl)-2-piperazin-1-yl-ethanol hydrochloride
1-(4-Chlorophenyl)-2-(piperazin-1-yl)ethanol hydrochloride
1-(4-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
1-(4-chlorophenyl)-2-(piperazin-1-yl)ethan-1-ol hydrochloride
DTXSID10671785
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.97
TPSA
35.5
LogP / Solubility
WLOGP
1.7
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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