1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid
TL;DR: 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid (CAS 56353-71-0) is a chemical compound with molecular formula C31H32N2O7 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4,6-trioxo-5-(1-phenylethyl)-1,3-bis(phenylmethoxymethyl)-1,3-diazinan-5-yl] propanoate
Also Known As: 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)-, 1,3-Bis[(benzyloxy)methyl]-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl propanoate, [2,4,6-trioxo-5-(1-phenylethyl)-1,3-bis(phenylmethoxymethyl)-1,3-diazinan-5-yl] propanoate, BRN 0735775
| Molecular Formula | C31H32N2O7 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 4.6215 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 544.22095 |
| Heavy Atoms | 40 |
| Complexity | 1247.785 |
Chemical Identifiers
| CAS Number | 56353-71-0 |
|---|---|
| SMILES | CCC(=O)OC1(C(=O)N(C(=O)N(C1=O)COCC2=CC=CC=C2)COCC3=CC=CC=C3)C(C)C4=CC=CC=C4 |
Product Overview
1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid (CAS 56353-71-0), with molecular formula C31H32N2O7 and molecular weight 544.22 g/mol. IUPAC: [2,4,6-trioxo-5-(1-phenylethyl)-1,3-bis(phenylmethoxymethyl)-1,3-diazinan-5-yl] propanoate.
Chemical Property Profile of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid
Property Insights of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid
The XLogP value of 4.6215 indicates that 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid. Following Lipinski's Rule of Five, 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid?
The CAS number of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid is 56353-71-0.
What is the molecular formula of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid?
The molecular formula of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid is C31H32N2O7.
What is the molecular weight of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid?
The molecular weight of 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid is 544.22 g/mol.
Where can I buy 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid?
You can request a quote for 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis((phenylmethoxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.