Barbituric acid, 1-(alpha-methylphenethyl)-
TL;DR: Barbituric acid, 1-(alpha-methylphenethyl)- (CAS 5531-77-1) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione
Also Known As: 1-(alpha-Methylphenethyl)barbituric acid, Barbituric acid, 1-(alpha-methylphenethyl)-, 5-24-09-00097 (Beilstein Handbook Reference), 1-(1-phenylpropan-2-yl)pyrimidine-2,4,6(1h,3h,5h)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(1-methyl-2-phenylethyl)-
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 5531-77-1 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)N2C(=O)CC(=O)NC2=O |
| InChIKey | FFACIFVJLCNHFA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-(alpha-methylphenethyl)- (CAS 5531-77-1), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-(alpha-methylphenethyl)-
Property Insights of Barbituric acid, 1-(alpha-methylphenethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-(alpha-methylphenethyl)-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-(alpha-methylphenethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 1-(alpha-methylphenethyl)- has 1 hydrogen bond donor(s) and 3 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, 1-(alpha-methylphenethyl)-?
The CAS number of Barbituric acid, 1-(alpha-methylphenethyl)- is 5531-77-1.
What is the molecular formula of Barbituric acid, 1-(alpha-methylphenethyl)-?
The molecular formula of Barbituric acid, 1-(alpha-methylphenethyl)- is C13H14N2O3.
What is the molecular weight of Barbituric acid, 1-(alpha-methylphenethyl)-?
The molecular weight of Barbituric acid, 1-(alpha-methylphenethyl)- is 246.10 g/mol.
Where can I buy Barbituric acid, 1-(alpha-methylphenethyl)-?
You can request a quote for Barbituric acid, 1-(alpha-methylphenethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1-(alpha-methylphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-(alpha-methylphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.