5-(2-Piperidinoethyl)-5-phenylbarbituric acid
TL;DR: 5-(2-Piperidinoethyl)-5-phenylbarbituric acid (CAS 1042-22-4) is a chemical compound with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2-Piperidinoethyl)-5-phenylbarbituric acid, 5-Phenyl-5-(2-(1-piperidinyl)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, BARBITURIC ACID, 5-PHENYL-5-(2-PIPERIDINOETHYL)-, 5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-PHENYL-5-(2-(1-PIPERIDINYL)ETHYL)-
| Molecular Formula | C17H21N3O3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1583 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 1042-22-4 |
|---|---|
| SMILES | C1CCN(CC1)CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3 |
| InChIKey | IEJANWYSGVNAOH-UHFFFAOYSA-N |
Product Overview
5-(2-Piperidinoethyl)-5-phenylbarbituric acid (CAS 1042-22-4), with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol. IUPAC: 5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid
Property Insights of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Piperidinoethyl)-5-phenylbarbituric acid. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Piperidinoethyl)-5-phenylbarbituric acid. Following Lipinski's Rule of Five, 5-(2-Piperidinoethyl)-5-phenylbarbituric 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-(2-Piperidinoethyl)-5-phenylbarbituric acid?
The CAS number of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid is 1042-22-4.
What is the molecular formula of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid?
The molecular formula of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid is C17H21N3O3.
What is the molecular weight of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid?
The molecular weight of 5-(2-Piperidinoethyl)-5-phenylbarbituric acid is 315.16 g/mol.
Where can I buy 5-(2-Piperidinoethyl)-5-phenylbarbituric acid?
You can request a quote for 5-(2-Piperidinoethyl)-5-phenylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Piperidinoethyl)-5-phenylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Piperidinoethyl)-5-phenylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.