![CAS 167316-28-1 N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-1,1,1-trifluoro-MethanesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/167316-28-1.gif)
CAS RN: 167316-28-1
N-[(1S,2S)-2-aMino-1,2-diphenylethyl]-1,1,1-trifluoro-MethanesulfonaMide
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250214 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS167316-28-1
- Purity/Analytical Methods: >99.0%
167316-28-1 / N-[(1S,2S)-2-amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide
Basic Information
CAS
167316-28-1
Multi CAS
No
Molecular Formula
C15H15F3N2O2S
Molecular Weight
344.400000
Exact Mass
344.080633
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)NS(=O)(=O)C(F)(F)F)N
InChI
InChI=1S/C15H15F3N2O2S/c16-15(17,18)23(21,22)20-14(12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h1-10,13-14,20H,19H2/t13-,14-/m0/s1
InChIKey
GIBMTDKHCXCSNA-KBPBESRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.66
TPSA
72.19
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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