Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-
TL;DR: Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- (CAS 42445-87-4) is a chemical compound with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-, Pyrrolidine, 1-((4-(5-ethyl-5-phenyltetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl)-1-piperazinyl)acetyl)-, 5-ethyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione, 5-Ethyl-6-hydroxy-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-5-phenylpyrimidine-2,4(3H,5H)-dione, RefChem:377904
| Molecular Formula | C22H29N5O4 |
|---|---|
| Molecular Weight | 427.22 g/mol |
| LogP | 0.5678 |
| Topological Polar Surface Area | 93.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.22195 |
| Heavy Atoms | 31 |
| Complexity | 861.91205 |
Chemical Identifiers
| CAS Number | 42445-87-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)N2CCN(CC2)CC(=O)N3CCCC3)C4=CC=CC=C4 |
Product Overview
Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- (CAS 42445-87-4), with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol. IUPAC: 5-ethyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-
Property Insights of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-
The XLogP value of 0.5678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-. The TPSA of 93.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- has 1 hydrogen bond donor(s) and 6 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, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- is 42445-87-4.
What is the molecular formula of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- is C22H29N5O4.
What is the molecular weight of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- is 427.22 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-phenyl-1-(4-((1-pyrroldinylcarbonyl)methyl)-1-piperzinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.