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CAS 57059-62-8 1-(3-CHLOROPHENYL)-4-(3-CHLOROPROPYL)PIPERAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 57059-62-8

1-(3-CHLOROPHENYL)-4-(3-CHLOROPROPYL)PIPERAZINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS57059-62-8
  • Purity/Analytical Methods: >99.0%
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57059-62-8 / 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride

Standard CAS: 57059-62-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57059-62-8
Multi CAS
Yes
Molecular Formula
C13H19CL3N2
Molecular Weight
309.700000
Exact Mass
308.061382
InChI
InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
InChIKey
JVLRNANYLVRULL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.59
TPSA
7.68

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.04
XLogP3
-1.2
Consensus LogP
-1.15
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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