Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate
TL;DR: Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate (CAS 55632-13-8) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trioxo-1-phenyl-3-propyl-1,3-diazinan-5-yl)benzoic acid
Also Known As: 5-(2-Hydroxypropyl)-5-phenylbarbituric acid 5-benzoate, 5-25-03-00344 (Beilstein Handbook Reference), Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate, 2-(2,4,6-trioxo-1-phenyl-3-propyl-1,3-diazinan-5-yl)benzoic acid, 2-(2,4,6-trioxo-1-phenyl-3-propylhexahydropyrimidin-5-yl)benzoic acid
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 55632-13-8 |
|---|---|
| SMILES | CCCN1C(=O)C(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3C(=O)O |
| InChIKey | TTXNWRRFUFPMLH-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate (CAS 55632-13-8), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: 2-(2,4,6-trioxo-1-phenyl-3-propyl-1,3-diazinan-5-yl)benzoic acid.
Chemical Property Profile of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate
Property Insights of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate 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 Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate?
The CAS number of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate is 55632-13-8.
What is the molecular formula of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate?
The molecular formula of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate is C20H18N2O5.
What is the molecular weight of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate?
The molecular weight of Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate is 366.12 g/mol.
Where can I buy Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate?
You can request a quote for Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate 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-(2-hydroxypropyl)-5-phenyl-, 5-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-, 5-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.