1,3-Dimethyl-5-ethylbarbituric acid
TL;DR: 1,3-Dimethyl-5-ethylbarbituric acid (CAS 7391-61-9) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethyl-5-ethylbarbituric acid, 5-Ethyl-1,3-dimethylbarbituric acid, Barbituric acid, 1,3-dimethyl-5-ethyl-, Barbituric acid,3-dimethyl-, Barbituric acid, 5-ethyl-1,3-dimethyl-
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 7391-61-9 |
|---|---|
| SMILES | CCC1C(=O)N(C(=O)N(C1=O)C)C |
| InChIKey | QBCQXNDNMOHQIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-5-ethylbarbituric acid (CAS 7391-61-9), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: 5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-ethylbarbituric acid
Property Insights of 1,3-Dimethyl-5-ethylbarbituric acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-ethylbarbituric acid. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Dimethyl-5-ethylbarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-ethylbarbituric 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 1,3-Dimethyl-5-ethylbarbituric acid?
The CAS number of 1,3-Dimethyl-5-ethylbarbituric acid is 7391-61-9.
What is the molecular formula of 1,3-Dimethyl-5-ethylbarbituric acid?
The molecular formula of 1,3-Dimethyl-5-ethylbarbituric acid is C8H12N2O3.
What is the molecular weight of 1,3-Dimethyl-5-ethylbarbituric acid?
The molecular weight of 1,3-Dimethyl-5-ethylbarbituric acid is 184.08 g/mol.
Where can I buy 1,3-Dimethyl-5-ethylbarbituric acid?
You can request a quote for 1,3-Dimethyl-5-ethylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-ethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-ethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.