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CAS 502616-02-6 1,4-Dipierazino-2,3,5,6-tetrafluorobenzene molecular structure lightbox
CAS RN: 502616-02-6

1,4-Dipierazino-2,3,5,6-tetrafluorobenzene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260603 100mg In stock Shanghai Inquiry
Batchno.20260415 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260301 1g In stock Shanghai Inquiry
Batchno.20250422 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS502616-02-6
  • Purity/Analytical Methods: >99.0%
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502616-02-6 / 1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine

Standard CAS: 502616-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
502616-02-6
Multi CAS
Yes
Molecular Formula
C14F4H18N4
Molecular Weight
318.310000
Exact Mass
318.146759
InChI
InChI=1S/C14H18F4N4/c15-9-11(17)14(22-7-3-20-4-8-22)12(18)10(16)13(9)21-5-1-19-2-6-21/h19-20H,1-8H2
InChIKey
LRTCJFIHCNYPQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.44
TPSA
30.54

LogP / Solubility

WLOGP
1.06
MLOGP
0.95
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

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
2.5

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