CAS RN: 51123-09-2

5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulphonamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51123-09-2
  • Purity/Analytical Methods: >99.0%
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51123-09-2 / 5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide

Standard CAS: 51123-09-2 Multi CAS: Yes

Basic Information

CAS
51123-09-2
Multi CAS
Yes
Molecular Formula
C15H18N2O2S
Molecular Weight
290.400000
Exact Mass
290.108899
InChI
InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3
InChIKey
ZAXMFSSGOARPBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.24
TPSA
63.4

LogP / Solubility

WLOGP
2.79
MLOGP
2.47
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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