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CAS 886499-74-7 2-(4-TRIFLUOROMETHOXYPHENYL)PROPIONIC ACID molecular structure lightbox
CAS RN: 886499-74-7

2-(4-TRIFLUOROMETHOXYPHENYL)PROPIONIC ACID

  • Product code: SSC-200025
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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 886499-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

886499-74-7 / 3-[4-(trifluoromethoxy)phenyl]propanoic acid

Standard CAS: 886499-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886499-74-7
Multi CAS
Yes
Molecular Formula
C10F3H9O3
Molecular Weight
234.170000
Exact Mass
234.050379
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)
InChIKey
RRPISZJLUXOOCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.08
TPSA
46.53

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
3.1
Consensus LogP
2.66
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.3

Drug-likeness / Medicinal Chemistry

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

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