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CAS 923125-02-4 4-[OXO(PIPERAZIN-1-YL)ACETYL]MORPHOLINE molecular structure lightbox
CAS RN: 923125-02-4

4-[OXO(PIPERAZIN-1-YL)ACETYL]MORPHOLINE

  • Product code: SSC-205890
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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
  • 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 923125-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

923125-02-4 / 4-(2-chloroacetyl)-N-phenylpiperazine-1-carboxamide

Standard CAS: 923125-02-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
923125-02-4
Multi CAS
Yes
Molecular Formula
C13H16CLN3O2
Molecular Weight
281.740000
Exact Mass
281.093105
InChI
InChI=1S/C13H16ClN3O2/c14-10-12(18)16-6-8-17(9-7-16)13(19)15-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)
InChIKey
HCMUFRJGPVGTSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.33
TPSA
52.65

LogP / Solubility

WLOGP
1.6
MLOGP
1.42
XLogP3
1
Consensus LogP
1.34
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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