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CAS 2525-74-8 EthenesulfonaMide, N,N-bis(phenylMethyl) molecular structure lightbox
CAS RN: 2525-74-8

EthenesulfonaMide, N,N-bis(phenylMethyl)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2525-74-8
  • Purity/Analytical Methods: >99.0%
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2525-74-8 / N,N-dibenzylethenesulfonamide

Standard CAS: 2525-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2525-74-8
Multi CAS
No
Molecular Formula
C16H17NO2S
Molecular Weight
287.400000
Exact Mass
287.098000
SMILES
C=CS(=O)(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H17NO2S/c1-2-20(18,19)17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKey
LLYGMBHCAWMTAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
81.25
TPSA
37.38

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3
Consensus LogP
2.98
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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