![CAS 73790-11-1 2,2-Difluoro-2-[4-(trifluoromethyl)phenyl]acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73790-11-1.gif)
CAS RN: 73790-11-1
2,2-Difluoro-2-[4-(trifluoromethyl)phenyl]acetic Acid
- Product code: SSC-183220
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Shanghai | Inquiry |
73790-11-1 / 2,2-difluoro-2-[4-(trifluoromethyl)phenyl]acetic acid
Basic Information
CAS
73790-11-1
Multi CAS
No
Molecular Formula
C9F5H5O2
Molecular Weight
240.130000
Exact Mass
240.020970
InChI
InChI=1S/C9H5F5O2/c10-8(11,7(15)16)5-1-3-6(4-2-5)9(12,13)14/h1-4H,(H,15,16)
InChIKey
PWADLMFDFRCDMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.97
TPSA
37.3
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.14
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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1,2-Ethanedione, 1,2-bis[4-(trifluoromethyl)phenyl]-
- CAS RN: 73790-20-2
- Product Code: starshine_CAS73790-20-2
- Purity/Analytical method: >99.0%
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![CAS 73790-20-2 1,2-Ethanedione, 1,2-bis[4-(trifluoromethyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73790-20-2.gif)
