1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid
TL;DR: 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid (CAS 50884-87-2) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-ethyl-3-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid, 1-benzyl-5-ethyl-3-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione, 5-24-09-00298 (Beilstein Handbook Reference), 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(methoxymethyl)-5-phenyl-3-(phenylmethyl)-, 5-Ethyl-1-(methoxymethyl)-5-phenyl-3-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.9293 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 837.77484 |
Chemical Identifiers
| CAS Number | 50884-87-2 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)COC)CC2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid (CAS 50884-87-2), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: 1-benzyl-5-ethyl-3-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid
Property Insights of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid
The XLogP value of 2.9293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid. Following Lipinski's Rule of Five, 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid has 0 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 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid?
The CAS number of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid is 50884-87-2.
What is the molecular formula of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid?
The molecular formula of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid is C21H22N2O4.
What is the molecular weight of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid?
The molecular weight of 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid is 366.16 g/mol.
Where can I buy 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid?
You can request a quote for 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-methoxymethyl-5-ethyl-5-phenylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.