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CAS 125421-98-9 3-PIPERAZIN-1-YL-PHENYLAMINE DOUBLE HYDROCHLORIDE molecular structure lightbox
CAS RN: 125421-98-9

3-PIPERAZIN-1-YL-PHENYLAMINE DOUBLE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS125421-98-9
  • Purity/Analytical Methods: >99.0%
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125421-98-9 / 3-piperazin-1-ylaniline;hydrochloride

Standard CAS: 125421-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125421-98-9
Multi CAS
No
Molecular Formula
C10H16ClN3
Molecular Weight
213.710000
Exact Mass
213.103275
SMILES
C1CN(CCN1)C2=CC=CC(=C2)N.Cl
InChI
InChI=1S/C10H15N3.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7,11H2;1H
InChIKey
YOEUZWWMUIPIAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.19
TPSA
41.29

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.24

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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