Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-
TL;DR: Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- (CAS 7548-70-1) is a chemical compound with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(2-hydroxy-2,3-dimethylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2,3-Dimethyl-2-hydroxybutyl)-5-ethylbarbituric acid, 5-25-03-00288 (Beilstein Handbook Reference), BARBITURIC ACID, 5-(2,3-DIMETHYL-2-HYDROXYBUTYL)-5-ETHYL-, 5-ethyl-5-(2-hydroxy-2,3-dimethylbutyl)-1,3-diazinane-2,4,6-trione, 5-Ethyl-4,6-dihydroxy-5-(2-hydroxy-2,3-dimethylbutyl)pyrimidin-2(5H)-one
| Molecular Formula | C12H20N2O4 |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.1423 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 7548-70-1 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC(C)(C(C)C)O |
| InChIKey | FKFQTWRRMFBKDP-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- (CAS 7548-70-1), with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol. IUPAC: 5-ethyl-5-(2-hydroxy-2,3-dimethylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-
Property Insights of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- has 3 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-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-?
The CAS number of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- is 7548-70-1.
What is the molecular formula of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-?
The molecular formula of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- is C12H20N2O4.
What is the molecular weight of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-?
The molecular weight of Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- is 256.14 g/mol.
Where can I buy Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-?
You can request a quote for Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- 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-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2,3-dimethyl-2-hydroxybutyl)-5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.