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CAS 1429903-76-3 3-Ethoxy-5-(trifluoromethyl)benzenamine molecular structure lightbox
CAS RN: 1429903-76-3

3-Ethoxy-5-(trifluoromethyl)benzenamine

  • Product code: SSC-054297
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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: 5g, 0.1g, 0.25g, 1g, 10g
  • 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 1429903-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1429903-76-3 / 3-ethoxy-5-(trifluoromethyl)aniline

Standard CAS: 1429903-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429903-76-3
Multi CAS
No
Molecular Formula
C9H10F3NO
Molecular Weight
205.180000
Exact Mass
205.071448
SMILES
CCOC1=CC(=CC(=C1)N)C(F)(F)F
InChI
InChI=1S/C9H10F3NO/c1-2-14-8-4-6(9(10,11)12)3-7(13)5-8/h3-5H,2,13H2,1H3
InChIKey
XFEACCJUEVBNMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.03
TPSA
35.25

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

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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