Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-
TL;DR: Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- (CAS 55705-66-3) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxybutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(4-Hydroxybutyl)-1-phenylbarbituric acid, Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-, Barbituric acid,5-(4-hydroxybutyl)-1-phenyl, 5-(4-hydroxybutyl)-1-phenyl-1,3-diazinane-2,4,6-trione, 5-25-03-00282 (Beilstein Handbook Reference)
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 55705-66-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)CCCCO |
| InChIKey | VIIWBPFNMLPGGW-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- (CAS 55705-66-3), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 5-(4-hydroxybutyl)-1-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-
Property Insights of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- 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 Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-?
The CAS number of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- is 55705-66-3.
What is the molecular formula of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-?
The molecular formula of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- is C14H16N2O4.
What is the molecular weight of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-?
The molecular weight of Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- is 276.11 g/mol.
Where can I buy Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-?
You can request a quote for Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- 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-(4-hydroxybutyl)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.