[email protected]
CAS 852465-45-3 1-(2-Methoxyphenyl)-4-(2-nitrophenyl)piperazine molecular structure lightbox
CAS RN: 852465-45-3

1-(2-Methoxyphenyl)-4-(2-nitrophenyl)piperazine

  • Product code: SSC-193557
GET A QUOTE
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: 5g, 0.1g, 0.25g, 1g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 852465-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 3 In Stock Beijing Inquiry
0.1g ≥97% 2 In Stock Shenzhen Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
10g ≥97% 2 In Stock Shenzhen Inquiry
25g ≥97% 2 In Stock Shenzhen Inquiry

852465-45-3 / 1-(2-methoxyphenyl)-4-(2-nitrophenyl)piperazine

Standard CAS: 852465-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852465-45-3
Multi CAS
No
Molecular Formula
C17H19N3O3
Molecular Weight
313.350000
Exact Mass
313.142641
InChI
InChI=1S/C17H19N3O3/c1-23-17-9-5-4-8-16(17)19-12-10-18(11-13-19)14-6-2-3-7-15(14)20(21)22/h2-9H,10-13H2,1H3
InChIKey
RDXJAWVSAQAAIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
90.52
TPSA
58.85

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3.4
Consensus LogP
2.97
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us