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CAS 856843-84-0 1-(TOLUENE-4-SULFONYL)-PIPERAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 856843-84-0

1-(TOLUENE-4-SULFONYL)-PIPERAZINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS856843-84-0
  • Purity/Analytical Methods: >99.0%
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856843-84-0 / 1-(4-methylphenyl)sulfonylpiperazine;hydrochloride

Standard CAS: 856843-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856843-84-0
Multi CAS
No
Molecular Formula
C11H17CLN2O2S
Molecular Weight
276.780000
Exact Mass
276.069927
InChI
InChI=1S/C11H16N2O2S.ClH/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKey
IMLDHDNEYHSNDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.06
TPSA
49.41

LogP / Solubility

WLOGP
1.01
MLOGP
0.9
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

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

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