![2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione structure](/static/products/4318/431894-13-2.webp)
2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione
TL;DR: 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione (CAS 431894-13-2) is a chemical compound with molecular formula C13H5IN4O3S and molecular weight 423.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-iodophenyl)-7-thia-1,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-3,5,12-trione
Also Known As: 2-(4-iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione, 7-(4-iodophenyl)pyrrolo[3',4':4,5]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione, 7-(4-iodophenyl)-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
| Molecular Formula | C13H5IN4O3S |
|---|---|
| Molecular Weight | 423.91 g/mol |
| LogP | 1.5562 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.91272 |
| Heavy Atoms | 22 |
| Complexity | 1008.29224 |
Chemical Identifiers
| CAS Number | 431894-13-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C(C2=O)SC4=NN=CC(=O)N34)I |
Product Overview
2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione (CAS 431894-13-2), with molecular formula C13H5IN4O3S and molecular weight 423.91 g/mol. IUPAC: 4-(4-iodophenyl)-7-thia-1,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-3,5,12-trione.
Chemical Property Profile of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione
Property Insights of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione
The XLogP value of 1.5562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione. Following Lipinski's Rule of Five, 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione?
The CAS number of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione is 431894-13-2.
What is the molecular formula of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione?
The molecular formula of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione is C13H5IN4O3S.
What is the molecular weight of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione?
The molecular weight of 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione is 423.91 g/mol.
Where can I buy 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione?
You can request a quote for 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Iodophenyl)pyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.