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CAS 59702-21-5 1-BENZYLPIPERAZINE-2-ONE molecular structure lightbox
CAS RN: 59702-21-5

1-BENZYLPIPERAZINE-2-ONE

  • Product code: SSC-168243
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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: 0.25g, 1g, 5g
  • 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 59702-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

59702-21-5 / 1-benzylpiperazin-2-one

Standard CAS: 59702-21-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59702-21-5
Multi CAS
Yes
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
InChI
InChI=1S/C11H14N2O/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
BNPCRHWMJSUKDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.73
TPSA
32.34

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.44

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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