Barbituric acid,5(1mebu)-5-ET-1-ME
TL;DR: Barbituric acid,5(1mebu)-5-ET-1-ME (CAS 57562-99-9) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-methyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: N-Methylpentobarbital, 5-Ethyl-1-methyl-5-(1-methylbutyl)barbituric acid, BARBITURIC ACID, 5-ETHYL-1-METHYL-5-(1-METHYLBUTYL)-, 5-24-09-00170 (Beilstein Handbook Reference), BARBITURIC ACID,5(1MEBU)-5-ET-1-ME
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 57562-99-9 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)N(C1=O)C)CC |
| InChIKey | OIIGBIYLGSWNKY-UHFFFAOYSA-N |
Product Overview
Barbituric acid,5(1mebu)-5-ET-1-ME (CAS 57562-99-9), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 5-ethyl-1-methyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid,5(1mebu)-5-ET-1-ME
Property Insights of Barbituric acid,5(1mebu)-5-ET-1-ME
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid,5(1mebu)-5-ET-1-ME. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid,5(1mebu)-5-ET-1-ME. Following Lipinski's Rule of Five, Barbituric acid,5(1mebu)-5-ET-1-ME 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,5(1mebu)-5-ET-1-ME?
The CAS number of Barbituric acid,5(1mebu)-5-ET-1-ME is 57562-99-9.
What is the molecular formula of Barbituric acid,5(1mebu)-5-ET-1-ME?
The molecular formula of Barbituric acid,5(1mebu)-5-ET-1-ME is C12H20N2O3.
What is the molecular weight of Barbituric acid,5(1mebu)-5-ET-1-ME?
The molecular weight of Barbituric acid,5(1mebu)-5-ET-1-ME is 240.15 g/mol.
Where can I buy Barbituric acid,5(1mebu)-5-ET-1-ME?
You can request a quote for Barbituric acid,5(1mebu)-5-ET-1-ME 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(1mebu)-5-ET-1-ME?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid,5(1mebu)-5-ET-1-ME and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.