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CAS 869629-11-8 2-AMINO-N-(2,2,2-TRIFLUOROETHYL)BENZAMIDE molecular structure lightbox
CAS RN: 869629-11-8

2-AMINO-N-(2,2,2-TRIFLUOROETHYL)BENZAMIDE

  • Product code: SSC-196319
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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, 10g
  • Available purity: >97%
  • 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 869629-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

869629-11-8 / 2-amino-N-(2,2,2-trifluoroethyl)benzamide

Standard CAS: 869629-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
869629-11-8
Multi CAS
No
Molecular Formula
C9F3H9N2O
Molecular Weight
218.180000
Exact Mass
218.066697
InChI
InChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h1-4H,5,13H2,(H,14,15)
InChIKey
JSMHDOKRNGWLSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.24
TPSA
55.12

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.94

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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