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CAS 199666-03-0 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide molecular structure lightbox
CAS RN: 199666-03-0

3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

Product Availability

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13 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260312 10mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250925 100mg In stock Inquiry
Batchno.20251108 10mg In stock Inquiry
Batchno.20250529 250mg In stock Inquiry
Batchno.20250312 25mg In stock Inquiry
Batchno.20251101 50mg In stock Inquiry
Batchno.20260325 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250530 100mg In stock Shanghai Inquiry
Batchno.20250313 10mg In stock Shanghai Inquiry
Batchno.20260217 1g In stock Shanghai Inquiry
Batchno.20251009 250mg In stock Shanghai Inquiry
Batchno.20250525 25mg In stock Shanghai Inquiry
Batchno.20250108 5mg In stock Shanghai Inquiry
  • Product code: SSC-093981
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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: ≥95%
  • 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 199666-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

199666-03-0 / 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

Standard CAS: 199666-03-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
199666-03-0
Multi CAS
No
Molecular Formula
C17H15N3O6S2
Molecular Weight
421.500000
Exact Mass
421.040228
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
InChIKey
NDPBMCKQJOZAQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
104.56
TPSA
120.66

LogP / Solubility

WLOGP
3.54
MLOGP
3.14
XLogP3
3.2
Consensus LogP
3.29
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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