5-Isobutyl-1,3-dimethylbarbituric acid
TL;DR: 5-Isobutyl-1,3-dimethylbarbituric acid (CAS 7435-61-2) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Isobutyl-1,3-dimethylbarbituric acid, 5-isobutyl-1,3-dimethylbarbituricacid, 1,3-dimethyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-(2-methylpropyl)pyrimidine-2,4,6(1h,3h,5h)-trione, 1,3-Dimethyl-5-isobutylhexahydropyrimidine-2,4,6-trione
| Molecular Formula | C10H16N2O3 |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.11609 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 7435-61-2 |
|---|---|
| SMILES | CC(C)CC1C(=O)N(C(=O)N(C1=O)C)C |
| InChIKey | NFQAQKVFBFWVKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isobutyl-1,3-dimethylbarbituric acid (CAS 7435-61-2), with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol. IUPAC: 1,3-dimethyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Isobutyl-1,3-dimethylbarbituric acid
Property Insights of 5-Isobutyl-1,3-dimethylbarbituric acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isobutyl-1,3-dimethylbarbituric acid. With a topological polar surface area (TPSA) of 57.7 Ų, 5-Isobutyl-1,3-dimethylbarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isobutyl-1,3-dimethylbarbituric acid 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 5-Isobutyl-1,3-dimethylbarbituric acid?
The CAS number of 5-Isobutyl-1,3-dimethylbarbituric acid is 7435-61-2.
What is the molecular formula of 5-Isobutyl-1,3-dimethylbarbituric acid?
The molecular formula of 5-Isobutyl-1,3-dimethylbarbituric acid is C10H16N2O3.
What is the molecular weight of 5-Isobutyl-1,3-dimethylbarbituric acid?
The molecular weight of 5-Isobutyl-1,3-dimethylbarbituric acid is 212.12 g/mol.
Where can I buy 5-Isobutyl-1,3-dimethylbarbituric acid?
You can request a quote for 5-Isobutyl-1,3-dimethylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isobutyl-1,3-dimethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobutyl-1,3-dimethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.