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CAS 878155-86-3 5-Fluoro-2-methoxy-4-(4-methyl-1-piperazinyl)aniline molecular structure lightbox
CAS RN: 878155-86-3

5-Fluoro-2-methoxy-4-(4-methyl-1-piperazinyl)aniline

  • Product code: SSC-198127
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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 878155-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

878155-86-3 / 5-fluoro-2-methoxy-4-(4-methylpiperazin-1-yl)aniline

Standard CAS: 878155-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
878155-86-3
Multi CAS
No
Molecular Formula
C12FH18N3O
Molecular Weight
239.290000
Exact Mass
239.143390
InChI
InChI=1S/C12H18FN3O/c1-15-3-5-16(6-4-15)11-8-12(17-2)10(14)7-9(11)13/h7-8H,3-6,14H2,1-2H3
InChIKey
OXHAGGYWMSVIBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.07
TPSA
41.73

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.35

Drug-likeness / Medicinal Chemistry

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

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