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CAS 835912-66-8 (4-AMINO-2,3-DIFLUOROPHENYL)ACETIC ACID molecular structure lightbox
CAS RN: 835912-66-8

(4-AMINO-2,3-DIFLUOROPHENYL)ACETIC ACID

  • Product code: SSC-191358
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 835912-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

835912-66-8 / 2-(4-amino-2,3-difluorophenyl)acetic acid

Standard CAS: 835912-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
835912-66-8
Multi CAS
Yes
Molecular Formula
C8F2H7NO2
Molecular Weight
187.140000
Exact Mass
187.044485
InChI
InChI=1S/C8H7F2NO2/c9-7-4(3-6(12)13)1-2-5(11)8(7)10/h1-2H,3,11H2,(H,12,13)
InChIKey
PGVRQGJEDKBSET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.11
TPSA
63.32

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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