2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
TL;DR: 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione (CAS 59007-52-2) is a chemical compound with molecular formula C12H7N3O4 and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
Also Known As: 5-phthalimidouracil, 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione, 5-phthalimidopyrimidine-2,4(1H,3H)-dione, J1.691.515G, 2-(2,4-dihydroxypyrimidin-5-yl)isoindoline-1,3-dione
| Molecular Formula | C12H7N3O4 |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.04367 |
| Heavy Atoms | 19 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 59007-52-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CNC(=O)NC3=O |
| InChIKey | DQCXJNJOELHPGW-UHFFFAOYSA-N |
Product Overview
2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione (CAS 59007-52-2), with molecular formula C12H7N3O4 and molecular weight 257.04 g/mol. IUPAC: 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
Property Insights of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
The XLogP value of -0.2 indicates that 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione has 2 hydrogen bond donor(s) and 4 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-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
The CAS number of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is 59007-52-2.
What is the molecular formula of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
The molecular formula of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is C12H7N3O4.
What is the molecular weight of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
The molecular weight of 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is 257.04 g/mol.
Where can I buy 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
You can request a quote for 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.