Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate
TL;DR: Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate (CAS 60904-15-6) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate
Also Known As: benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate, 3,5-dioxo-[1,2,4]oxadiazinane-2-carboxylic acid benzyl ester, 2H-1,2,4-Oxadiazine-2-carboxylic acid, tetrahydro-3,5-dioxo-, phenylmethyl ester
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 0.8066 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 473.58173 |
Chemical Identifiers
| CAS Number | 60904-15-6 |
|---|---|
| SMILES | C1C(=O)NC(=O)N(O1)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate (CAS 60904-15-6), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate.
Chemical Property Profile of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate
Property Insights of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate
The XLogP value of 0.8066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate. Following Lipinski's Rule of Five, Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-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 Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate?
The CAS number of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate is 60904-15-6.
What is the molecular formula of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate?
The molecular formula of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate is C11H10N2O5.
What is the molecular weight of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate?
The molecular weight of Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate is 250.06 g/mol.
Where can I buy Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate?
You can request a quote for Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.