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CAS 33581-96-3 4-Methyl-1-piperazinesulfonyl Chloride Hydrochloride molecular structure lightbox
CAS RN: 33581-96-3

4-Methyl-1-piperazinesulfonyl Chloride Hydrochloride

  • Product code: SSC-139734
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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 33581-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

33581-96-3 / 4-methylpiperazine-1-sulfonyl chloride;hydrochloride

Standard CAS: 33581-96-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33581-96-3
Multi CAS
Yes
Molecular Formula
C5H12CL2N2O2S
Molecular Weight
235.130000
Exact Mass
233.999654
InChI
InChI=1S/C5H11ClN2O2S.ClH/c1-7-2-4-8(5-3-7)11(6,9)10;/h2-5H2,1H3;1H
InChIKey
AYGQXEFMLQQXOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.09
TPSA
40.62

LogP / Solubility

WLOGP
0.14
MLOGP
0.13
XLogP3
0.14
Consensus LogP
0.14
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-4.06

Drug-likeness / Medicinal Chemistry

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

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