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CAS 53668-37-4 4-AMINO-N-CYCLOHEXYL-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 53668-37-4

4-AMINO-N-CYCLOHEXYL-BENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53668-37-4
  • Purity/Analytical Methods: >99.0%
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53668-37-4 / 4-amino-N-cyclohexylbenzenesulfonamide

Standard CAS: 53668-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53668-37-4
Multi CAS
Yes
Molecular Formula
C12H18N2O2S
Molecular Weight
254.350000
Exact Mass
254.108899
InChI
InChI=1S/C12H18N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5,13H2
InChIKey
TWDXGFYTZRHHCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.05
TPSA
72.19

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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