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CAS 13053-79-7 N-(5-methyl-3-isoxazolyl)benzenesulfonamide molecular structure lightbox
CAS RN: 13053-79-7

N-(5-methyl-3-isoxazolyl)benzenesulfonamide

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250214 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250422 100mg In stock Shanghai Inquiry
Batchno.20250225 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260617 250mg Out of stock 5-7 business days Inquiry
Batchno.20260304 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260623 5g Out of stock Inquiry
  • Product code: starshine_CAS13053-79-7
  • Purity/Analytical Methods: >99.0%
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13053-79-7 / N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Standard CAS: 13053-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13053-79-7
Multi CAS
No
Molecular Formula
C10H10N2O3S
Molecular Weight
238.270000
Exact Mass
238.041213
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O3S/c1-8-7-10(11-15-8)12-16(13,14)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
SQNUDFDMVUDDJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.49
TPSA
72.2

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

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