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CAS 115761-79-0 1-(2,4-Difluorophenyl)piperazine molecular structure lightbox
CAS RN: 115761-79-0

1-(2,4-Difluorophenyl)piperazine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260303 100g In stock Inquiry
Batchno.20250212 1g In stock Inquiry
Batchno.20260420 25g In stock Inquiry
Batchno.20250406 500g In stock Inquiry
Batchno.20251208 5g In stock Inquiry
  • Product code: SSC-015509
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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: 25g
  • Available purity: ＞97%
  • 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 115761-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

115761-79-0 / 1-(2,4-difluorophenyl)piperazine

1-(2,4-difluorophenyl)piperazine | DTXSID40370411 | RefChem:222853

Standard CAS: 115761-79-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115761-79-0
Multi CAS
No
Molecular Formula
C10H12F2N2
Molecular Weight
198.210000
Exact Mass
198.096855
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
CMCSPBOWEYUGHB-UHFFFAOYSA-N
Synonyms
1-(2,4-difluorophenyl)piperazine DTXSID40370411 RefChem:222853 DTXCID20321446 671-454-0

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.44
TPSA
15.27

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (71.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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