CAS RN: 1280201-29-7
3-Isopropoxy-5-(trifluoromethyl)aniline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-035398
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, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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% | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
1280201-29-7 / 3-propan-2-yloxy-5-(trifluoromethyl)aniline
Basic Information
CAS
1280201-29-7
Multi CAS
No
Molecular Formula
C10H12F3NO
Molecular Weight
219.200000
Exact Mass
219.087098
SMILES
CC(C)OC1=CC(=CC(=C1)N)C(F)(F)F
InChI
InChI=1S/C10H12F3NO/c1-6(2)15-9-4-7(10(11,12)13)3-8(14)5-9/h3-6H,14H2,1-2H3
InChIKey
NQORTSLHZMPLNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.62
TPSA
35.25
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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