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CAS 881282-85-5 881282-85-5 molecular structure lightbox
CAS RN: 881282-85-5

881282-85-5

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS881282-85-5
  • Purity/Analytical Methods: >99.0%
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881282-85-5 / 4-bromo-N-ethyl-N-(3-methylphenyl)benzenesulfonamide

Standard CAS: 881282-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881282-85-5
Multi CAS
No
Molecular Formula
BC15H16O2RnS
Molecular Weight
354.300000
Exact Mass
353.008510
InChI
InChI=1S/C15H16BrNO2S/c1-3-17(14-6-4-5-12(2)11-14)20(18,19)15-9-7-13(16)8-10-15/h4-11H,3H2,1-2H3
InChIKey
XDKFPWSFHKRJQJ-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
2
Molar refractivity
85.53
TPSA
37.38

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
4.1
Consensus LogP
3.86
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

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

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