ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
TL;DR: ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate (CAS 378779-12-5) is a chemical compound with molecular formula C8H9IN2O4 and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-iodo-2,4-dioxopyrimidin-1-yl)acetate
Also Known As: BAS 03154765, ethyl 2-(5-iodo-2,4-dioxopyrimidin-1-yl)acetate, ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate, ethyl 2-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate, (5-Iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid ethyl ester
| Molecular Formula | C8H9IN2O4 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.9607 |
| Heavy Atoms | 15 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 378779-12-5 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C(=O)NC1=O)I |
| InChIKey | QHZFWCFMBJICGX-UHFFFAOYSA-N |
Product Overview
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate (CAS 378779-12-5), with molecular formula C8H9IN2O4 and molecular weight 323.96 g/mol. IUPAC: ethyl 2-(5-iodo-2,4-dioxopyrimidin-1-yl)acetate.
Chemical Property Profile of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
Property Insights of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate. Following Lipinski's Rule of Five, ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate 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 (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate?
The CAS number of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate is 378779-12-5.
What is the molecular formula of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate?
The molecular formula of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate is C8H9IN2O4.
What is the molecular weight of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate?
The molecular weight of ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate is 323.96 g/mol.
Where can I buy ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate?
You can request a quote for ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.