CAS RN: 61721-07-1
4-Fluoro-3-(trifluoromethyl)phenol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-170677
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, 25g, 10g, discontinued
- Available purity: ≥98%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| discontinued | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | -- | 0 Out of Stock | Shenzhen | Inquiry |
61721-07-1 / 4-fluoro-3-(trifluoromethyl)phenol
Basic Information
CAS
61721-07-1
Multi CAS
No
Molecular Formula
C7F4H4O
Molecular Weight
180.100000
Exact Mass
180.019827
InChI
InChI=1S/C7H4F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKey
DHPCRFYUUWAGAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.07
TPSA
20.23
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
