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CAS 405-79-8 4-Fluorophenoxyacetic acid molecular structure lightbox
CAS RN: 405-79-8

4-Fluorophenoxyacetic acid

  • Product code: SSC-148698
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 405-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 3 In Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

405-79-8 / 2-(4-fluorophenoxy)acetic acid

Standard CAS: 405-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
405-79-8
Multi CAS
No
Molecular Formula
C8FH7O3
Molecular Weight
170.140000
Exact Mass
170.037922
InChI
InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
ZBIULCVFFJJYTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.53
TPSA
46.53

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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