Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-
TL;DR: Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- (CAS 66941-07-9) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethyl-5-(1-methylbutyl)barbituric acid, BARBITURIC ACID, 1,3-DIMETHYL-5-(1-METHYLBUTYL)-, 4-24-00-01930 (Beilstein Handbook Reference), Barbituric acid,3-dimethyl-5-(1-methylbutyl)-, 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 66941-07-9 |
|---|---|
| SMILES | CCCC(C)C1C(=O)N(C(=O)N(C1=O)C)C |
| InChIKey | XOADURCWFNUIPK-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- (CAS 66941-07-9), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-
Property Insights of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-. With a topological polar surface area (TPSA) of 57.7 Ų, Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- 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, 1,3-dimethyl-5-(1-methylbutyl)-?
The CAS number of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- is 66941-07-9.
What is the molecular formula of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-?
The molecular formula of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- is C11H18N2O3.
What is the molecular weight of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-?
The molecular weight of Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- is 226.13 g/mol.
Where can I buy Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-?
You can request a quote for Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.