Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate
TL;DR: Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate (CAS 383388-45-2) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetate
Also Known As: methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate, methyl 2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetate, methyl 2-(5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 383388-45-2 |
|---|---|
| SMILES | COC(=O)CC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2 |
| InChIKey | UWYZPUFRMOFWPY-UHFFFAOYSA-N |
Product Overview
Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate (CAS 383388-45-2), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: methyl 2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetate.
Chemical Property Profile of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate
Property Insights of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate. Following Lipinski's Rule of Five, Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate 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 Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate?
The CAS number of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate is 383388-45-2.
What is the molecular formula of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate?
The molecular formula of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate is C14H14N2O5.
What is the molecular weight of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate?
The molecular weight of Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate is 290.09 g/mol.
Where can I buy Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate?
You can request a quote for Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (5-benzyl-2,4,6-trioxohexahydropyrimidin-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.