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CAS 106266-04-0 4-(2,4-Difluorobenzoyl)piperidine Hydrochloride molecular structure lightbox
CAS RN: 106266-04-0

4-(2,4-Difluorobenzoyl)piperidine Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-008028
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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: 100g
  • 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 106266-04-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

106266-04-0 / (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride

(2,4-difluorophenyl)(piperidin-4-yl)methanone hydrochloride | Methanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) | RefChem:394591

Standard CAS: 106266-04-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106266-04-0
Multi CAS
Yes
Molecular Formula
C12H14ClF2NO
Molecular Weight
261.690000
Exact Mass
261.073198
SMILES
C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F.Cl
InChI
InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKey
QPJONRGTWKXJLG-UHFFFAOYSA-N
Synonyms
(2,4-difluorophenyl)(piperidin-4-yl)methanone hydrochloride Methanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1) RefChem:394591 600-732-6 4-(2,4-Difluorobenzoyl)piperidine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.53
TPSA
29.1

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.57
Consensus LogP
2.47
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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