Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)
TL;DR: Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) (CAS 55653-03-7) is a chemical compound with molecular formula C19H23N3O7 and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(2,4,6-trioxo-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl)benzoic acid
Also Known As: 5-25-03-00288 (Beilstein Handbook Reference), 5-(2-Hydroxypropyl)-5-(1-methylbutyl)barbituric acid 5-(p-nitrobenzoate), Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate), 4-nitro-2-[2,4,6-trioxo-1-(pentan-2-yl)-5-propylhexahydropyrimidin-5-yl]benzoic acid, 4-nitro-2-(2,4,6-trioxo-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl)benzoic acid
| Molecular Formula | C19H23N3O7 |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.1536 |
| Heavy Atoms | 29 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 55653-03-7 |
|---|---|
| SMILES | CCCC(C)N1C(=O)C(C(=O)NC1=O)(CCC)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | TWOYWYFCPVKMAT-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) (CAS 55653-03-7), with molecular formula C19H23N3O7 and molecular weight 405.15 g/mol. IUPAC: 4-nitro-2-(2,4,6-trioxo-1-pentan-2-yl-5-propyl-1,3-diazinan-5-yl)benzoic acid.
Chemical Property Profile of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)
Property Insights of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)
The XLogP value of 3.0 indicates that Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) has 2 hydrogen bond donor(s) and 7 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-(1-methylbutyl)-, 5-(p-nitrobenzoate)?
The CAS number of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) is 55653-03-7.
What is the molecular formula of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)?
The molecular formula of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) is C19H23N3O7.
What is the molecular weight of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)?
The molecular weight of Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) is 405.15 g/mol.
Where can I buy Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)?
You can request a quote for Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) 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-(1-methylbutyl)-, 5-(p-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.