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CAS 853297-04-8 [4-AMino-2-(trifluoroMethyl)phenyl](4-Methyl-1-piperazinyl)Metha molecular structure lightbox
CAS RN: 853297-04-8

[4-AMino-2-(trifluoroMethyl)phenyl](4-Methyl-1-piperazinyl)Metha

  • Product code: SSC-193683
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 853297-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Shanghai Inquiry

853297-04-8 / [4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone

Standard CAS: 853297-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853297-04-8
Multi CAS
No
Molecular Formula
C13F3H16N3O
Molecular Weight
287.280000
Exact Mass
287.124547
InChI
InChI=1S/C13H16F3N3O/c1-18-4-6-19(7-5-18)12(20)10-3-2-9(17)8-11(10)13(14,15)16/h2-3,8H,4-7,17H2,1H3
InChIKey
MFOSAHLGQDMTAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.26
TPSA
49.57

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.4
Consensus LogP
1.52
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-3.28

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
1.5

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