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CAS 78484-45-4 1-Piperazinamine,4-(methylsulfonyl)-(9CI) molecular structure lightbox
CAS RN: 78484-45-4

1-Piperazinamine,4-(methylsulfonyl)-(9CI)

  • Product code: SSC-187875
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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 78484-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

78484-45-4 / 4-methylsulfonylpiperazin-1-amine

Standard CAS: 78484-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78484-45-4
Multi CAS
No
Molecular Formula
C5H13N3O2S
Molecular Weight
179.240000
Exact Mass
179.072848
InChI
InChI=1S/C5H13N3O2S/c1-11(9,10)8-4-2-7(6)3-5-8/h2-6H2,1H3
InChIKey
RWRDTPMJNKGMLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.18
TPSA
66.64

LogP / Solubility

WLOGP
-1.56
MLOGP
-1.38
XLogP3
-1.4
Consensus LogP
-1.45
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly 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)
-4.92

Drug-likeness / Medicinal Chemistry

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

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