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CAS 313520-94-4 TH263 molecular structure lightbox
CAS RN: 313520-94-4

TH263

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS313520-94-4
  • Purity/Analytical Methods: >99.0%
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313520-94-4 / N-benzyl-4-(benzylsulfamoyl)benzamide

Standard CAS: 313520-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313520-94-4
Multi CAS
No
Molecular Formula
C21H20N2O3S
Molecular Weight
380.500000
Exact Mass
380.119464
InChI
InChI=1S/C21H20N2O3S/c24-21(22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27(25,26)23-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,22,24)
InChIKey
QDGVJMITKNOVTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.52
TPSA
75.27

LogP / Solubility

WLOGP
3.1
MLOGP
2.75
XLogP3
3.2
Consensus LogP
3.02
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84

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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