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CAS 2055848-89-8 (S)-2-Phenethylpiperazine dihydrochloride molecular structure lightbox
CAS RN: 2055848-89-8

(S)-2-Phenethylpiperazine dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260308 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2055848-89-8
  • Purity/Analytical Methods: >99.0%
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2055848-89-8 / (2S)-2-(2-phenylethyl)piperazine;dihydrochloride

Standard CAS: 2055848-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055848-89-8
Multi CAS
No
Molecular Formula
C12H20Cl2N2
Molecular Weight
263.200000
Exact Mass
262.100354
SMILES
C1CN[C@H](CN1)CCC2=CC=CC=C2.Cl.Cl
InChI
InChI=1S/C12H18N2.2ClH/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12;;/h1-5,12-14H,6-10H2;2*1H/t12-;;/m0../s1
InChIKey
GNCMVWAICYVFJG-LTCKWSDVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.92
TPSA
24.06

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.89

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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