Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-
TL;DR: Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- (CAS 28239-53-4) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Alphenal, 1,3-dimethyl, Alphenal di-methyl derivative, Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-, 5-Allyl-1,3-dimethyl-5-phenylbarbituric acid, 1,3-dimethyl-5-phenyl-5-2,4,6 -pyrimidinetrione
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 28239-53-4 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)(CC=C)C2=CC=CC=C2 |
| InChIKey | NWRUKUZJIQINMM-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- (CAS 28239-53-4), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 1,3-dimethyl-5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-
Property Insights of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- has 0 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, 5-allyl-1,3-dimethyl-5-phenyl-?
The CAS number of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- is 28239-53-4.
What is the molecular formula of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-?
The molecular formula of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- is C15H16N2O3.
What is the molecular weight of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-?
The molecular weight of Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- is 272.12 g/mol.
Where can I buy Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl-?
You can request a quote for Barbituric acid, 5-allyl-1,3-dimethyl-5-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-allyl-1,3-dimethyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-1,3-dimethyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.