![5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE structure](/static/products/6498/6498-79-9.webp)
5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
TL;DR: 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE (CAS 6498-79-9) is a chemical compound with molecular formula C17H14IN3O3 and molecular weight 435.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H14IN3O3 |
|---|---|
| Molecular Weight | 435.01 g/mol |
| LogP | 2.5157 |
| Topological Polar Surface Area | 62.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.008 |
| Heavy Atoms | 24 |
| Complexity | 841.4609 |
Chemical Identifiers
| CAS Number | 6498-79-9 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)I)C(=O)N(C1=O)C |
Product Overview
5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE (CAS 6498-79-9), with molecular formula C17H14IN3O3 and molecular weight 435.01 g/mol. IUPAC: 5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Property Insights of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
The XLogP value of 2.5157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE. The TPSA of 62.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE. Following Lipinski's Rule of Five, 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE has 0 hydrogen bond donor(s) and 3 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 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE?
The CAS number of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE is 6498-79-9.
What is the molecular formula of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE?
The molecular formula of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE is C17H14IN3O3.
What is the molecular weight of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE?
The molecular weight of 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE is 435.01 g/mol.
Where can I buy 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE?
You can request a quote for 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE?
Yes, KEHONG BIO provides custom synthesis services for 5-{[1-(4-IODOPHENYL)-1H-PYRROL-2-YL]METHYLENE}-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.