ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate
TL;DR: ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate (CAS 59416-52-3) is a chemical compound with molecular formula C7H7NO5 and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate
Also Known As: Aethyloxaorotat, ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate, Ethyl 2,6-dioxo-3,6-dihydro-2H-1,3-oxazine-4-carboxylate, 3,6-Dihydro-2,6-dioxo-2H-1,3-oxazine-4-carboxylic acid ethyl ester
| Molecular Formula | C7H7NO5 |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.03242 |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 59416-52-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)OC(=O)N1 |
| InChIKey | QYVIFZMZTSJKFF-UHFFFAOYSA-N |
Product Overview
ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate (CAS 59416-52-3), with molecular formula C7H7NO5 and molecular weight 185.03 g/mol. IUPAC: ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate.
Chemical Property Profile of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate
Property Insights of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate has 1 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 2,6-dioxo-3H-1,3-oxazine-4-carboxylate?
The CAS number of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate is 59416-52-3.
What is the molecular formula of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate?
The molecular formula of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate is C7H7NO5.
What is the molecular weight of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate?
The molecular weight of ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate is 185.03 g/mol.
Where can I buy ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate?
You can request a quote for ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,6-dioxo-3H-1,3-oxazine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.