Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate
TL;DR: Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate (CAS 331972-25-9) is a chemical compound with molecular formula C9H11IN2O4 and molecular weight 337.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate
Also Known As: BAS 00718775, ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate, AB00094826-01, ethyl 3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate, ethyl 3-(4-hydroxy-5-iodo-2-oxopyrimidin-1(2H)-yl)propanoate
| Molecular Formula | C9H11IN2O4 |
|---|---|
| Molecular Weight | 337.98 g/mol |
| LogP | 0.0944 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.97635 |
| Heavy Atoms | 16 |
| Complexity | 491.01773 |
Chemical Identifiers
| CAS Number | 331972-25-9 |
|---|---|
| SMILES | CCOC(=O)CCN1C=C(C(=O)NC1=O)I |
Product Overview
Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate (CAS 331972-25-9), with molecular formula C9H11IN2O4 and molecular weight 337.98 g/mol. IUPAC: ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate.
Chemical Property Profile of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate
Property Insights of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate
The XLogP value of 0.0944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate has 1 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 Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate?
The CAS number of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate is 331972-25-9.
What is the molecular formula of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate?
The molecular formula of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate is C9H11IN2O4.
What is the molecular weight of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate?
The molecular weight of Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate is 337.98 g/mol.
Where can I buy Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate?
You can request a quote for Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-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-iodo-2,4-dioxopyrimidin-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.