5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid
TL;DR: 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid (CAS 64038-09-1) is a chemical compound with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-aminophenyl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid, 5-(4-aminophenyl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione, BARBITURIC ACID, 5-(p-AMINOPHENYL)-5-ETHYL-1-METHYL-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-aminophenyl)-5-ethyl-1-methyl-, o-Veratric acid, 2-piperidinoethyl ester, hydrochloride
| Molecular Formula | C13H15N3O3 |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.11133 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 64038-09-1 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=C(C=C2)N |
| InChIKey | HJQDNWSIHPKTLV-UHFFFAOYSA-N |
Product Overview
5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid (CAS 64038-09-1), with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol. IUPAC: 5-(4-aminophenyl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid
Property Insights of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid. Following Lipinski's Rule of Five, 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid has 2 hydrogen bond donor(s) and 4 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 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid?
The CAS number of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid is 64038-09-1.
What is the molecular formula of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid?
The molecular formula of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid is C13H15N3O3.
What is the molecular weight of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid?
The molecular weight of 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid is 261.11 g/mol.
Where can I buy 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid?
You can request a quote for 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.