1,3-Dimethyl-5-isopropylbarbituric acid
TL;DR: 1,3-Dimethyl-5-isopropylbarbituric acid (CAS 7358-62-5) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethyl-5-isopropylbarbituric acid, BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPROPYL-, 1,3-dimethyl-5-isopropyl-barbiturate, Barbituric acid,3-dimethyl-5-isopropyl-, 5-24-09-00129 (Beilstein Handbook Reference)
| Molecular Formula | C9H14N2O3 |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.10045 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 7358-62-5 |
|---|---|
| SMILES | CC(C)C1C(=O)N(C(=O)N(C1=O)C)C |
| InChIKey | UDOOPVQAORZPMV-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5-isopropylbarbituric acid (CAS 7358-62-5), with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol. IUPAC: 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-isopropylbarbituric acid
Property Insights of 1,3-Dimethyl-5-isopropylbarbituric acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-isopropylbarbituric acid. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Dimethyl-5-isopropylbarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-isopropylbarbituric 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-isopropylbarbituric acid?
The CAS number of 1,3-Dimethyl-5-isopropylbarbituric acid is 7358-62-5.
What is the molecular formula of 1,3-Dimethyl-5-isopropylbarbituric acid?
The molecular formula of 1,3-Dimethyl-5-isopropylbarbituric acid is C9H14N2O3.
What is the molecular weight of 1,3-Dimethyl-5-isopropylbarbituric acid?
The molecular weight of 1,3-Dimethyl-5-isopropylbarbituric acid is 198.10 g/mol.
Where can I buy 1,3-Dimethyl-5-isopropylbarbituric acid?
You can request a quote for 1,3-Dimethyl-5-isopropylbarbituric 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-isopropylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-isopropylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.