1,3-Dimethylbutylethyl barbituric acid
TL;DR: 1,3-Dimethylbutylethyl barbituric acid (CAS 28239-45-4) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: Dimethylneonal, 1,3-Dimethylbutylethyl barbituric acid, Butobarbitone-permethylated, N,N'-Dimethylbutobarbitone, 5-Butyl-1,3-dimethyl-5-ethylbarbituric acid
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 28239-45-4 |
|---|---|
| SMILES | CCCCC1(C(=O)N(C(=O)N(C1=O)C)C)CC |
| InChIKey | ZSCDMQNUQCZYHQ-UHFFFAOYSA-N |
Product Overview
1,3-Dimethylbutylethyl barbituric acid (CAS 28239-45-4), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 5-butyl-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethylbutylethyl barbituric acid
Property Insights of 1,3-Dimethylbutylethyl barbituric acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylbutylethyl barbituric acid. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Dimethylbutylethyl barbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylbutylethyl barbituric 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-Dimethylbutylethyl barbituric acid?
The CAS number of 1,3-Dimethylbutylethyl barbituric acid is 28239-45-4.
What is the molecular formula of 1,3-Dimethylbutylethyl barbituric acid?
The molecular formula of 1,3-Dimethylbutylethyl barbituric acid is C12H20N2O3.
What is the molecular weight of 1,3-Dimethylbutylethyl barbituric acid?
The molecular weight of 1,3-Dimethylbutylethyl barbituric acid is 240.15 g/mol.
Where can I buy 1,3-Dimethylbutylethyl barbituric acid?
You can request a quote for 1,3-Dimethylbutylethyl barbituric 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-Dimethylbutylethyl barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylbutylethyl barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.