Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid
TL;DR: Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid (CAS 55666-89-2) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate
Also Known As: 5-Phenyl-5-(2-butyroxypropyl)barbituric acid, 5-25-03-00344 (Beilstein Handbook Reference), Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid, 1-(butanoyloxy)-5-phenyl-5-propylpyrimidine-2,4,6(1h,3h,5h)-trione, (2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 55666-89-2 |
|---|---|
| SMILES | CCCC(=O)ON1C(=O)C(C(=O)NC1=O)(CCC)C2=CC=CC=C2 |
| InChIKey | PELAACFWZFHXDR-UHFFFAOYSA-N |
Product Overview
Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid (CAS 55666-89-2), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: (2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate.
Chemical Property Profile of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid
Property Insights of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid
The XLogP value of 3.3 indicates that Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid. Following Lipinski's Rule of Five, Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid has 1 hydrogen bond donor(s) and 5 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 Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid?
The CAS number of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid is 55666-89-2.
What is the molecular formula of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid?
The molecular formula of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid is C17H20N2O5.
What is the molecular weight of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid?
The molecular weight of Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid is 332.14 g/mol.
Where can I buy Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid?
You can request a quote for Butyric acid, 5-ester with 5-(2-hydroxypropyl)-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 Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 5-ester with 5-(2-hydroxypropyl)-5-phenylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.