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CAS 2222337-05-3 4-Iodothieno[3,4-c]furan-1,3-dione molecular structure lightbox
CAS RN: 2222337-05-3

4-Iodothieno[3,4-c]furan-1,3-dione

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100mg In stock Shanghai Inquiry
Batchno.20260323 1g Out of stock Inquiry
Batchno.20250423 250mg Out of stock Inquiry
  • Product code: starshine_CAS2222337-05-3
  • Purity/Analytical Methods: >99.0%
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2222337-05-3 / 4-iodothieno[3,4-c]furan-1,3-dione

Standard CAS: 2222337-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2222337-05-3
Multi CAS
No
Molecular Formula
C6HIO3S
Molecular Weight
280.040000
Exact Mass
279.869110
SMILES
C1=C2C(=C(S1)I)C(=O)OC2=O
InChI
InChI=1S/C6HIO3S/c7-4-3-2(1-11-4)5(8)10-6(3)9/h1H
InChIKey
ANNFNERXXQXBAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
H-bond acceptors
4
Molar refractivity
46.78
TPSA
43.37

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.61
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.86
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)
-3.25

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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