4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid
TL;DR: 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid (CAS 3491-32-5) is a chemical compound with molecular formula C8H9N3O6 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-nitro-2,4-dioxopyrimidin-1-yl)butanoic acid
Also Known As: 4-(5-nitro-2,4-dioxopyrimidin-1-yl)butanoic acid, 4-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid, 1(2H)-Pyrimidinebutanoicacid, 3,4-dihydro-5-nitro-2,4-dioxo-, 3-(3,4-dihydro-2,4-dioxopyrimidin-1(2H)-yl)propanoic acid
| Molecular Formula | C8H9N3O6 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.04913 |
| Heavy Atoms | 17 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 3491-32-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1CCCC(=O)O)[N+](=O)[O-] |
| InChIKey | KXRCABICGHVSOE-UHFFFAOYSA-N |
Product Overview
4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid (CAS 3491-32-5), with molecular formula C8H9N3O6 and molecular weight 243.05 g/mol. IUPAC: 4-(5-nitro-2,4-dioxopyrimidin-1-yl)butanoic acid.
Chemical Property Profile of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid
Property Insights of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid
The XLogP value of -0.8 indicates that 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid has 2 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 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid?
The CAS number of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid is 3491-32-5.
What is the molecular formula of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid?
The molecular formula of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid is C8H9N3O6.
What is the molecular weight of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid?
The molecular weight of 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid is 243.05 g/mol.
Where can I buy 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid?
You can request a quote for 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.