Barbituric acid, 1,3-diphenyl-5-ethyl-
TL;DR: Barbituric acid, 1,3-diphenyl-5-ethyl- (CAS 741-81-1) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid, 1,3-diphenyl-5-ethyl-, 1,3-Diphenyl-5-ethylbarbituric acid, 5-ethyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione, 1,3-Diphenyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-24-09-00122 (Beilstein Handbook Reference)
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 741-81-1 |
|---|---|
| SMILES | CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | YSHZZFGNQUKPQD-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1,3-diphenyl-5-ethyl- (CAS 741-81-1), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: 5-ethyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1,3-diphenyl-5-ethyl-
Property Insights of Barbituric acid, 1,3-diphenyl-5-ethyl-
The XLogP value of 3.2 indicates that Barbituric acid, 1,3-diphenyl-5-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 1,3-diphenyl-5-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 1,3-diphenyl-5-ethyl- 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 Barbituric acid, 1,3-diphenyl-5-ethyl-?
The CAS number of Barbituric acid, 1,3-diphenyl-5-ethyl- is 741-81-1.
What is the molecular formula of Barbituric acid, 1,3-diphenyl-5-ethyl-?
The molecular formula of Barbituric acid, 1,3-diphenyl-5-ethyl- is C18H16N2O3.
What is the molecular weight of Barbituric acid, 1,3-diphenyl-5-ethyl-?
The molecular weight of Barbituric acid, 1,3-diphenyl-5-ethyl- is 308.12 g/mol.
Where can I buy Barbituric acid, 1,3-diphenyl-5-ethyl-?
You can request a quote for Barbituric acid, 1,3-diphenyl-5-ethyl- 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-diphenyl-5-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-diphenyl-5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.