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CAS 2713-73-7 2-ethoxy-5-(trifluoromethyl)phenylamine molecular structure lightbox
CAS RN: 2713-73-7

2-ethoxy-5-(trifluoromethyl)phenylamine

  • Product code: SSC-125940
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2713-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

2713-73-7 / 2-ethoxy-5-(trifluoromethyl)aniline

Standard CAS: 2713-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2713-73-7
Multi CAS
No
Molecular Formula
C9H10F3NO
Molecular Weight
205.180000
Exact Mass
205.071448
SMILES
CCOC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C9H10F3NO/c1-2-14-8-4-3-6(5-7(8)13)9(10,11)12/h3-5H,2,13H2,1H3
InChIKey
LIQQEMLFIDADRH-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
2.6
Consensus LogP
2.55
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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