Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)
TL;DR: Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) (CAS 33161-71-6) is a chemical compound with molecular formula C20H24N2O7 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-ethyl-2,4,6-trioxo-5-phenyl-3-(propanoyloxymethyl)-1,3-diazinan-1-yl]methyl propanoate
Also Known As: N,N'-Bis(propionoxymethyl)phenobarbital, 1,3-Bis(hydroxymethyl)-5-ethyl-5-phenylbarbituric acid dipropionate (ester), Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester), L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-L-valyl, (5-ethyl-2,4,6-trioxo-5-phenyldihydropyrimidine-1,3(2h,4h)-diyl)dimethanediyl dipropanoate
| Molecular Formula | C20H24N2O7 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 404.15836 |
| Heavy Atoms | 29 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 33161-71-6 |
|---|---|
| SMILES | CCC(=O)OCN1C(=O)C(C(=O)N(C1=O)COC(=O)CC)(CC)C2=CC=CC=C2 |
| InChIKey | CCZSDYAMFHIDNA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) (CAS 33161-71-6), with molecular formula C20H24N2O7 and molecular weight 404.16 g/mol. IUPAC: [5-ethyl-2,4,6-trioxo-5-phenyl-3-(propanoyloxymethyl)-1,3-diazinan-1-yl]methyl propanoate.
Chemical Property Profile of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)
Property Insights of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester). The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester). Following Lipinski's Rule of Five, Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) has 0 hydrogen bond donor(s) and 7 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 Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)?
The CAS number of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) is 33161-71-6.
What is the molecular formula of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)?
The molecular formula of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) is C20H24N2O7.
What is the molecular weight of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)?
The molecular weight of Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) is 404.16 g/mol.
Where can I buy Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)?
You can request a quote for Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-bis(hydroxymethyl)-5-ethyl-5-phenyl-, dipropionate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.