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CAS 14742-39-3 2,3,5,6-TETRAFLUOROPHENYLOXY-ACETIC ACID molecular structure lightbox
CAS RN: 14742-39-3

2,3,5,6-TETRAFLUOROPHENYLOXY-ACETIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-058106
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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: 0.25g
  • 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 14742-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

14742-39-3 / 2-(2,3,5,6-tetrafluorophenoxy)acetic acid

Standard CAS: 14742-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14742-39-3
Multi CAS
No
Molecular Formula
C8H4F4O3
Molecular Weight
224.110000
Exact Mass
224.009657
SMILES
C1=C(C(=C(C(=C1F)F)OCC(=O)O)F)F
InChI
InChI=1S/C8H4F4O3/c9-3-1-4(10)7(12)8(6(3)11)15-2-5(13)14/h1H,2H2,(H,13,14)
InChIKey
NXTODGOOFUJCNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.4
TPSA
46.53

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.9
Consensus LogP
1.7
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.88

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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