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CAS 55112-42-0 4-Methyl-1-piperazinecarbonyl chloride hydrochloride molecular structure lightbox
CAS RN: 55112-42-0

4-Methyl-1-piperazinecarbonyl chloride hydrochloride

  • Product code: SSC-162970
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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: 5g, 10g, 25g, 100g
  • Available purity: 97%
  • 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 55112-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 97% 0 Out of Stock Shanghai Inquiry
10g 97% 0 Out of Stock Shenzhen Inquiry
25g 97% 0 Out of Stock Hong Kong Inquiry
100g 97% 0 Out of Stock Beijing Inquiry

55112-42-0 / 4-methylpiperazine-1-carbonyl chloride;hydrochloride

Standard CAS: 55112-42-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55112-42-0
Multi CAS
Yes
Molecular Formula
C6H12CL2N2O
Molecular Weight
199.080000
Exact Mass
198.032668
InChI
InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H
InChIKey
WICNYNXYKZNNSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.57
TPSA
23.55

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.21

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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