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CAS 77602-92-7 1-[2-(4-FLUOROPHENOXY)ETHYL]PIPERAZINE molecular structure lightbox
CAS RN: 77602-92-7

1-[2-(4-FLUOROPHENOXY)ETHYL]PIPERAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS77602-92-7
  • Purity/Analytical Methods: >99.0%
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77602-92-7 / 1-[2-(4-fluorophenoxy)ethyl]piperazine

Standard CAS: 77602-92-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77602-92-7
Multi CAS
Yes
Molecular Formula
C12FH17N2O
Molecular Weight
224.270000
Exact Mass
224.132491
InChI
InChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKey
IHVXZESETSWDAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.2
TPSA
24.5

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.4
Consensus LogP
1.16
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.3

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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