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CAS 1308915-16-3 2-(4-Acetylphenyl)-2,2-difluoroacetic Acid molecular structure lightbox
CAS RN: 1308915-16-3

2-(4-Acetylphenyl)-2,2-difluoroacetic Acid

  • Product code: SSC-037434
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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, 0.1g, 0.25g, 5g
  • 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 1308915-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1308915-16-3 / 2-(4-acetylphenyl)-2,2-difluoroacetic acid

Standard CAS: 1308915-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1308915-16-3
Multi CAS
No
Molecular Formula
C10H8F2O3
Molecular Weight
214.160000
Exact Mass
214.044150
SMILES
CC(=O)C1=CC=C(C=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C10H8F2O3/c1-6(13)7-2-4-8(5-3-7)10(11,12)9(14)15/h2-5H,1H3,(H,14,15)
InChIKey
NTEXUINTPQGRTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.98
TPSA
54.37

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.56

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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