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CAS 1233703-68-8 N-[(1R,2R)-2-aMinocyclohexyl]-3,5-bis(trifluoroMethyl)- BenzenesulfonaMide molecular structure lightbox
CAS RN: 1233703-68-8

N-[(1R,2R)-2-aMinocyclohexyl]-3,5-bis(trifluoroMethyl)- BenzenesulfonaMide

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Batchno.20250227 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1233703-68-8
  • Purity/Analytical Methods: >99.0%
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1233703-68-8 / N-[(1R,2R)-2-aminocyclohexyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Standard CAS: 1233703-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1233703-68-8
Multi CAS
No
Molecular Formula
C14H16F6N2O2S
Molecular Weight
390.350000
Exact Mass
390.083668
SMILES
C1CC[C@H]([C@@H](C1)N)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H16F6N2O2S/c15-13(16,17)8-5-9(14(18,19)20)7-10(6-8)25(23,24)22-12-4-2-1-3-11(12)21/h5-7,11-12,22H,1-4,21H2/t11-,12-/m1/s1
InChIKey
JBCNCYCPWLJXDO-VXGBXAGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77
TPSA
72.19

LogP / Solubility

WLOGP
3.27
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

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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