![CAS 313342-24-4 N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-2,3,4,5,6-pentafluoro-BenzenesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313342-24-4.gif)
CAS RN: 313342-24-4
N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-2,3,4,5,6-pentafluoro-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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260416 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS313342-24-4
- Purity/Analytical Methods: >99.0%
313342-24-4 / N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
Basic Information
CAS
313342-24-4
Multi CAS
Yes
Molecular Formula
C20F5H15N2O2S
Molecular Weight
442.400000
Exact Mass
442.077440
InChI
InChI=1S/C20H15F5N2O2S/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11/h1-10,18-19,27H,26H2/t18-,19-/m0/s1
InChIKey
OXFFQNROWDDLTM-OALUTQOASA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.11
TPSA
72.19
LogP / Solubility
WLOGP
4.1
MLOGP
3.64
XLogP3
3.5
Consensus LogP
3.75
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.66
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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