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CAS 409357-43-3 5-isopropyl-2-methoxy-4-methyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide molecular structure lightbox
CAS RN: 409357-43-3

5-isopropyl-2-methoxy-4-methyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 1mg / 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS409357-43-3
  • Purity/Analytical Methods: >99.0%
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409357-43-3 / 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide

Standard CAS: 409357-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
409357-43-3
Multi CAS
No
Molecular Formula
C17H28N2O4S
Molecular Weight
356.500000
Exact Mass
356.176979
InChI
InChI=1S/C17H28N2O4S/c1-13(2)15-12-17(16(22-4)11-14(15)3)24(20,21)18-5-6-19-7-9-23-10-8-19/h11-13,18H,5-10H2,1-4H3
InChIKey
DUNGHTBUPZADNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.27
TPSA
67.87

LogP / Solubility

WLOGP
1.74
MLOGP
1.55
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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