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CAS 33528-13-1 N-Benzyl-N-nitroso-p-toluenesulfonamide molecular structure lightbox
CAS RN: 33528-13-1

N-Benzyl-N-nitroso-p-toluenesulfonamide

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250607 1g In stock Shanghai Inquiry
Batchno.20251013 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-139650
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 33528-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

33528-13-1 / N-benzyl-4-methyl-N-nitrosobenzenesulfonamide

Standard CAS: 33528-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33528-13-1
Multi CAS
No
Molecular Formula
C14H14N2O3S
Molecular Weight
290.340000
Exact Mass
290.072513
InChI
InChI=1S/C14H14N2O3S/c1-12-7-9-14(10-8-12)20(18,19)16(15-17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
ZXELPGWSCCGNDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
76.14
TPSA
66.81

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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