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CAS 58260-71-2 1-(3,4-Dimethoxyphenyl)-piperazine dihydrochloride molecular structure lightbox
CAS RN: 58260-71-2

1-(3,4-Dimethoxyphenyl)-piperazine dihydrochloride

  • Product code: SSC-166505
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58260-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

58260-71-2 / 1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride

Standard CAS: 58260-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58260-71-2
Multi CAS
No
Molecular Formula
C12H20CL2N2O2
Molecular Weight
295.200000
Exact Mass
294.090183
InChI
InChI=1S/C12H18N2O2.2ClH/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14;;/h3-4,9,13H,5-8H2,1-2H3;2*1H
InChIKey
WNPZHRFAICTMIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.12
TPSA
33.73

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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