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CAS 933674-93-2 2-METHYL-5-TRIFLUOROMETHOXY-PHENYLAMINE molecular structure lightbox
CAS RN: 933674-93-2

2-METHYL-5-TRIFLUOROMETHOXY-PHENYLAMINE

  • Product code: SSC-207363
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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: 5g
  • Available purity: ＞97%
  • 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 933674-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

933674-93-2 / 2-methyl-5-(trifluoromethoxy)aniline

Standard CAS: 933674-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933674-93-2
Multi CAS
No
Molecular Formula
C8F3H8NO
Molecular Weight
191.150000
Exact Mass
191.055798
InChI
InChI=1S/C8H8F3NO/c1-5-2-3-6(4-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
InChIKey
WSUXTASOGISSKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.27
TPSA
35.25

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2
Consensus LogP
2.22
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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