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CAS 886763-49-1 2-(4-(trifluoroMethyl)phenoxy)propan-1-aMine molecular structure lightbox
CAS RN: 886763-49-1

2-(4-(trifluoroMethyl)phenoxy)propan-1-aMine

  • Product code: SSC-200135
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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: 0.1g
  • 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 886763-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

886763-49-1 / 2-[4-(trifluoromethyl)phenoxy]propan-1-amine

Standard CAS: 886763-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886763-49-1
Multi CAS
Yes
Molecular Formula
C10F3H12NO
Molecular Weight
219.200000
Exact Mass
219.087098
InChI
InChI=1S/C10H12F3NO/c1-7(6-14)15-9-4-2-8(3-5-9)10(11,12)13/h2-5,7H,6,14H2,1H3
InChIKey
ZYMYHXTVAZXTQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.59
TPSA
35.25

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.3
Consensus LogP
2.29
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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