Tetraethylbarbituric acid
TL;DR: Tetraethylbarbituric acid (CAS 31677-90-4) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione
Also Known As: Tetraethylbarbituric acid, tetraethylbarbiturate, Barbital perethylated, Tetraaethyl-barbitursaeure, NIOSH/CQ7650000
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 1.6234 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 319.6599 |
Chemical Identifiers
| CAS Number | 31677-90-4 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC)CC)CC |
Product Overview
Tetraethylbarbituric acid (CAS 31677-90-4), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 1,3,5,5-tetraethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Tetraethylbarbituric acid
Property Insights of Tetraethylbarbituric acid
The XLogP value of 1.6234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraethylbarbituric acid. With a topological polar surface area (TPSA) of 57.69 Ų, Tetraethylbarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetraethylbarbituric acid has 0 hydrogen bond donor(s) and 3 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 Tetraethylbarbituric acid?
The CAS number of Tetraethylbarbituric acid is 31677-90-4.
What is the molecular formula of Tetraethylbarbituric acid?
The molecular formula of Tetraethylbarbituric acid is C12H20N2O3.
What is the molecular weight of Tetraethylbarbituric acid?
The molecular weight of Tetraethylbarbituric acid is 240.15 g/mol.
Where can I buy Tetraethylbarbituric acid?
You can request a quote for Tetraethylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for Tetraethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.