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CAS 78551-58-3 1-Benzylpiperazin-2-one hydrochloride molecular structure lightbox
CAS RN: 78551-58-3

1-Benzylpiperazin-2-one hydrochloride

  • Product code: SSC-187926
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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, 5g
  • 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 78551-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

78551-58-3 / 1-benzylpiperazin-2-one;hydrochloride

Standard CAS: 78551-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78551-58-3
Multi CAS
No
Molecular Formula
C11H15CLN2O
Molecular Weight
226.700000
Exact Mass
226.087291
InChI
InChI=1S/C11H14N2O.ClH/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10;/h1-5,12H,6-9H2;1H
InChIKey
IDUUIDSBIFYYIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.98
TPSA
32.34

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.36

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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