![CAS 1023284-00-5 N-[(1R,2R)-2-aMinocyclohexyl]-1,1,1-trifluoro-MethanesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1023284-00-5.gif)
CAS RN: 1023284-00-5
N-[(1R,2R)-2-aMinocyclohexyl]-1,1,1-trifluoro-MethanesulfonaMide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1023284-00-5
- Purity/Analytical Methods: >99.0%
1023284-00-5 / N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
N-((1R,2R)-2-Aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide | N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide | Methanesulfonamide, N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoro-
Basic Information
CAS
1023284-00-5
Multi CAS
No
Molecular Formula
C7H13F3N2O2S
Molecular Weight
246.250000
Exact Mass
246.064983
SMILES
C1CC[C@H]([C@@H](C1)N)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2/t5-,6-/m1/s1
InChIKey
GZWHPKPKHTUWSS-PHDIDXHHSA-N
Synonyms
N-((1R,2R)-2-Aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
Methanesulfonamide, N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoro-
SCHEMBL5180894
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.34
TPSA
72.19
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
0.9
Consensus LogP
0.74
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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