2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
TL;DR: 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione (CAS 59007-55-5) is a chemical compound with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
Also Known As: 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione, 2-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C13H9N3O4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.0593 |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 59007-55-5 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | KJMSFNVGJRXQRH-UHFFFAOYSA-N |
Product Overview
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione (CAS 59007-55-5), with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol. IUPAC: 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
Property Insights of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(6-methyl-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-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
The CAS number of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is 59007-55-5.
What is the molecular formula of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
The molecular formula of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is C13H9N3O4.
What is the molecular weight of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
The molecular weight of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione is 271.06 g/mol.
Where can I buy 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
You can request a quote for 2-(6-methyl-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-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-methyl-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.