Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-
TL;DR: Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- (CAS 66942-13-0) is a chemical compound with molecular formula C14H15BrN2O3 and molecular weight 338.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-(p-Bromophenyl)-5,5-diethylbarbituric acid, BARBITURIC ACID, 1-(p-BROMOPHENYL)-5,5-DIETHYL-, 4-24-00-01909 (Beilstein Handbook Reference), 1-5,5-diethyl-2,4,6 -pyrimidinetrione, 1- -5,5-diethyl-2,4,6 -pyrimidinetrione
| Molecular Formula | C14H15BrN2O3 |
|---|---|
| Molecular Weight | 338.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0266 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 66942-13-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br)CC |
| InChIKey | RMGTWDQPJXJMOE-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- (CAS 66942-13-0), with molecular formula C14H15BrN2O3 and molecular weight 338.03 g/mol. IUPAC: 1-(4-bromophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-
Property Insights of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-
The XLogP value of 3.4 indicates that Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- has 1 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-(p-bromophenyl)-5,5-diethyl-?
The CAS number of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- is 66942-13-0.
What is the molecular formula of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-?
The molecular formula of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- is C14H15BrN2O3.
What is the molecular weight of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-?
The molecular weight of Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- is 338.03 g/mol.
Where can I buy Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl-?
You can request a quote for Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- 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-(p-bromophenyl)-5,5-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-(p-bromophenyl)-5,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.