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CAS 178606-66-1 Carbonic Anhydrase IX/XII Inhibitor II(U-104) molecular structure lightbox
CAS RN: 178606-66-1

Carbonic Anhydrase IX/XII Inhibitor II(U-104)

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100mg In stock Shanghai Inquiry
Batchno.20250510 10mg In stock Shanghai Inquiry
Batchno.20260413 1g In stock Shenzhen Inquiry
Batchno.20251124 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250529 250mg In stock Shenzhen Inquiry
Batchno.20250527 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20260211 5mg In stock Shanghai Inquiry
  • Product code: SSC-079497
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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 178606-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

178606-66-1 / 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea

Standard CAS: 178606-66-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
178606-66-1
Multi CAS
No
Molecular Formula
C13H12FN3O3S
Molecular Weight
309.320000
Exact Mass
309.058341
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey
YJQZNWPYLCNRLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
76.86
TPSA
101.29

LogP / Solubility

WLOGP
2.12
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.83
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

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
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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