CAS RN: 313342-12-0

N-[(1S,2S)-2-aMinocyclohexyl]-1,1,1-trifluoro-MethanesulfonaMide

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Batchno.20260325 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS313342-12-0
  • Purity/Analytical Methods: >99.0%
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313342-12-0 / N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide

Standard CAS: 313342-12-0 Multi CAS: No

Basic Information

CAS
313342-12-0
Multi CAS
No
Molecular Formula
C7F3H13N2O2S
Molecular Weight
246.250000
Exact Mass
246.064983
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-/m0/s1
InChIKey
GZWHPKPKHTUWSS-WDSKDSINSA-N

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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