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CAS 1171352-39-8 2-(4-TrifluoroMethyiphenyl)-piperazine hydrochloride molecular structure lightbox
CAS RN: 1171352-39-8

2-(4-TrifluoroMethyiphenyl)-piperazine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-016983
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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: 0.1g
  • 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 1171352-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1171352-39-8 / 2-[4-(trifluoromethyl)phenyl]piperazine;dihydrochloride

2-[4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE DIHYDROCHLORIDE | MFCD09910387 | 2-(4-trifluoromethyiphenyl)-piperazine hydrochloride

Standard CAS: 1171352-39-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1171352-39-8
Multi CAS
Yes
Molecular Formula
C11H15Cl2F3N2
Molecular Weight
303.150000
Exact Mass
302.056438
SMILES
C1CNC(CN1)C2=CC=C(C=C2)C(F)(F)F.Cl.Cl
InChI
InChI=1S/C11H13F3N2.2ClH/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10;;/h1-4,10,15-16H,5-7H2;2*1H
InChIKey
VQBVTMLTNMOXPD-UHFFFAOYSA-N
Synonyms
2-[4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE DIHYDROCHLORIDE MFCD09910387 2-(4-trifluoromethyiphenyl)-piperazine hydrochloride 2-(4-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE DIHYDROCHLORIDE 2-[4-(trifluoromethyl)phenyl]piperazine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.55
TPSA
24.06

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
2.78
Consensus LogP
2.67
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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