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CAS 534615-34-4 1-(PROPANE-2-SULFONYL)-PIPERAZINE molecular structure lightbox
CAS RN: 534615-34-4

1-(PROPANE-2-SULFONYL)-PIPERAZINE

  • Product code: SSC-160811
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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 534615-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

534615-34-4 / 1-propan-2-ylsulfonylpiperazine

Standard CAS: 534615-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
534615-34-4
Multi CAS
Yes
Molecular Formula
C7H16N2O2S
Molecular Weight
192.280000
Exact Mass
192.093249
InChI
InChI=1S/C7H16N2O2S/c1-7(2)12(10,11)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey
LCXAFSYDJOFYKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.5
TPSA
49.41

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.33
XLogP3
-0.3
Consensus LogP
-0.33
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-4.16

Drug-likeness / Medicinal Chemistry

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

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