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CAS 85068-28-6 2,6-Difluorophenylacetic Acid molecular structure lightbox
CAS RN: 85068-28-6

2,6-Difluorophenylacetic Acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250107 100g In stock Inquiry
Batchno.20251009 1g In stock Inquiry
Batchno.20250429 200mg In stock Inquiry
Batchno.20250325 25g In stock Inquiry
Batchno.20260523 5g In stock Inquiry
  • Product code: SSC-193080
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 85068-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 1 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

85068-28-6 / 2-(2,6-difluorophenyl)acetic acid

Standard CAS: 85068-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85068-28-6
Multi CAS
Yes
Molecular Formula
C8F2H6O2
Molecular Weight
172.130000
Exact Mass
172.033586
InChI
InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
FUGDCKXBUZFEON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.7
TPSA
37.3

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.5
Consensus LogP
1.5
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.64

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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