![CAS 2573217-07-7 Benzenamine, 3,3′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[6-(2-propen-1-yloxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2573217-07-7.gif)
CAS RN: 2573217-07-7
Benzenamine, 3,3′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[6-(2-propen-1-yloxy)-
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.20260626 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-122200
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2573217-07-7 / 5-[2-(3-amino-4-prop-2-enoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-prop-2-enoxyaniline
Basic Information
CAS
2573217-07-7
Multi CAS
No
Molecular Formula
C21H20F6N2O2
Molecular Weight
446.400000
Exact Mass
446.142897
SMILES
C=CCOC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)OCC=C)N)(C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C21H20F6N2O2/c1-3-9-30-17-7-5-13(11-15(17)28)19(20(22,23)24,21(25,26)27)14-6-8-18(16(29)12-14)31-10-4-2/h3-8,11-12H,1-2,9-10,28-29H2
InChIKey
SKGKCXSLUVYHHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
105.98
TPSA
70.5
LogP / Solubility
WLOGP
5.39
MLOGP
4.77
XLogP3
5.7
Consensus LogP
5.29
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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