![CAS 410096-73-0 N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-4-(trifluoroMethyl)-BenzenesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/410096-73-0.gif)
CAS RN: 410096-73-0
N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-4-(trifluoroMethyl)-BenzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-149401
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 | Shanghai | Inquiry |
410096-73-0 / N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-(trifluoromethyl)benzenesulfonamide
Basic Information
CAS
410096-73-0
Multi CAS
Yes
Molecular Formula
C21F3H19N2O2S
Molecular Weight
420.400000
Exact Mass
420.111934
InChI
InChI=1S/C21H19F3N2O2S/c22-21(23,24)17-11-13-18(14-12-17)29(27,28)26-20(16-9-5-2-6-10-16)19(25)15-7-3-1-4-8-15/h1-14,19-20,26H,25H2/t19-,20-/m0/s1
InChIKey
WVSQPMQOVRCKOM-PMACEKPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.32
TPSA
72.19
LogP / Solubility
WLOGP
4.43
MLOGP
3.92
XLogP3
3.9
Consensus LogP
4.08
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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