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CAS 328998-25-0 4E1RCat molecular structure lightbox
CAS RN: 328998-25-0

4E1RCat

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 100mg In stock Shanghai Inquiry
Batchno.20251211 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250812 1g Out of stock Inquiry
Batchno.20250928 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260314 250mg In stock Shanghai Inquiry
Batchno.20260316 50mg In stock Shanghai Inquiry
Batchno.20250219 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-138671
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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: 0.25g
  • 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 328998-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

328998-25-0 / 4-[3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid

Standard CAS: 328998-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
328998-25-0
Multi CAS
Yes
Molecular Formula
C28H18N2O6
Molecular Weight
478.500000
Exact Mass
478.116486
InChI
InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)
InChIKey
BBQRBOIMSKMFFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
23
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
134.08
TPSA
113.89

LogP / Solubility

WLOGP
6.02
MLOGP
5.33
XLogP3
5.3
Consensus LogP
5.55
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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