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CAS 928830-73-3 1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine molecular structure lightbox
CAS RN: 928830-73-3

1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine

  • Product code: SSC-206775
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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: ≥98%
  • 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 928830-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

928830-73-3 / 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine

Standard CAS: 928830-73-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
928830-73-3
Multi CAS
Yes
Molecular Formula
C11FH13N4O4
Molecular Weight
284.240000
Exact Mass
284.092083
InChI
InChI=1S/C11H13FN4O4/c1-13-2-4-14(5-3-13)10-6-8(12)9(15(17)18)7-11(10)16(19)20/h6-7H,2-5H2,1H3
InChIKey
SSBAFRIGYXRBRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
69.42
TPSA
92.76

LogP / Solubility

WLOGP
1.39
MLOGP
1.24
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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