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CAS 23530-48-5 N-ISOPROPYL-4-NITRO-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 23530-48-5

N-ISOPROPYL-4-NITRO-BENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-113926
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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: 1g
  • Available purity: ＞97%
  • 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 23530-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

23530-48-5 / 4-nitro-N-propan-2-ylbenzenesulfonamide

Standard CAS: 23530-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23530-48-5
Multi CAS
No
Molecular Formula
C9H12N2O4S
Molecular Weight
244.270000
Exact Mass
244.051778
SMILES
CC(C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O4S/c1-7(2)10-16(14,15)9-5-3-8(4-6-9)11(12)13/h3-7,10H,1-2H3
InChIKey
IMRZQROLAZHXHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.55
TPSA
89.31

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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