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CAS 959236-79-4 8-Iodoquinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 959236-79-4

8-Iodoquinazoline-2,4(1H,3H)-dione

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 100mg In stock Shanghai Inquiry
Batchno.20250530 1g In stock Tianjin Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
Batchno.20251225 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250807 5g Out of stock Inquiry
  • Product code: SSC-211613
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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 959236-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

959236-79-4 / 8-iodo-1H-quinazoline-2,4-dione

Standard CAS: 959236-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
959236-79-4
Multi CAS
Yes
Molecular Formula
C8H5In2O2
Molecular Weight
288.040000
Exact Mass
287.939570
InChI
InChI=1S/C8H5IN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChIKey
IXRBNJRIAAWODM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.91
TPSA
65.72

LogP / Solubility

WLOGP
0.82
MLOGP
0.73
XLogP3
1.4
Consensus LogP
0.98
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89

Drug-likeness / Medicinal Chemistry

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

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