Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate
TL;DR: Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate (CAS 29768-83-0) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-amino-2,4-dioxopyrimidin-1-yl)propanoate
Also Known As: ethyl 3-(5-amino-2,4-dioxopyrimidin-1-yl)propanoate, ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate, 1(2H)-Pyrimidinepropanoicacid, 5-amino-3,4-dihydro-2,4-dioxo-, ethyl ester
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 29768-83-0 |
|---|---|
| SMILES | CCOC(=O)CCN1C=C(C(=O)NC1=O)N |
| InChIKey | IROMKLMANXVSCP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate (CAS 29768-83-0), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: ethyl 3-(5-amino-2,4-dioxopyrimidin-1-yl)propanoate.
Chemical Property Profile of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate
Property Insights of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate
The XLogP value of -1.1 indicates that Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate has 2 hydrogen bond donor(s) and 5 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 Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate?
The CAS number of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate is 29768-83-0.
What is the molecular formula of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate?
The molecular formula of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate is C9H13N3O4.
What is the molecular weight of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate?
The molecular weight of Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate is 227.09 g/mol.
Where can I buy Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate?
You can request a quote for Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(5-amino-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.