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CAS 6591-95-3 4-(TOLUENE-4-SULFONYL)-PIPERAZIN-1-YLAMINE molecular structure lightbox
CAS RN: 6591-95-3

4-(TOLUENE-4-SULFONYL)-PIPERAZIN-1-YLAMINE

  • Product code: SSC-175531
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6591-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

6591-95-3 / 4-(4-methylphenyl)sulfonylpiperazin-1-amine

Standard CAS: 6591-95-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6591-95-3
Multi CAS
Yes
Molecular Formula
C11H17N3O2S
Molecular Weight
255.340000
Exact Mass
255.104148
InChI
InChI=1S/C20H17ClN2O2S2/c1-13-5-4-7-15(11-13)22-18(24)9-10-23-19(25)17(27-20(23)26)12-14-6-2-3-8-16(14)21/h2-8,11-12H,9-10H2,1H3,(H,22,24)/b17-12-
InChIKey
FWZYCJRTOYNFFN-ATVHPVEESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.7
TPSA
66.64

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.5
Consensus LogP
0.28
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-4.15

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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