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CAS 1420071-30-2 1H-Isoindole-1,3(2H)-dione, 5-[5-[[3-(4-broMophenyl)-2-iMino-4-oxo-5-thiazolidinylidene]Methyl]-2-furanyl]- molecular structure lightbox
CAS RN: 1420071-30-2

1H-Isoindole-1,3(2H)-dione, 5-[5-[[3-(4-broMophenyl)-2-iMino-4-oxo-5-thiazolidinylidene]Methyl]-2-furanyl]-

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250722 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260402 100mg In stock Shanghai Inquiry
Batchno.20250109 250mg Out of stock Inquiry
Batchno.20250316 50mg In stock Shanghai Inquiry
  • Product code: SSC-052698
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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: 0.1g
  • 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 1420071-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1420071-30-2 / 5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione

Standard CAS: 1420071-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420071-30-2
Multi CAS
No
Molecular Formula
C22H12BrN3O4S
Molecular Weight
494.300000
Exact Mass
492.973190
SMILES
C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)/SC2=N)Br
InChI
InChI=1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22?
InChIKey
ULBOWKXOFOTCMU-NLDKGBHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.86
TPSA
103.47

LogP / Solubility

WLOGP
4.65
MLOGP
4.13
XLogP3
4.3
Consensus LogP
4.36
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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)
-2.44

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
3.5

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