5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione (CAS 60784-70-5) is a chemical compound with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-ethyl-5-heptylbarbiturate, 5-ethyl-5-heptylbarbituric acid, 5-Ethyl-5-n-heptylbarbituric acid, 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione, 5-ethyl-5-heptylpyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C13H22N2O3 |
|---|---|
| Molecular Weight | 254.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.16304 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 60784-70-5 |
|---|---|
| SMILES | CCCCCCCC1(C(=O)NC(=O)NC1=O)CC |
| InChIKey | FLJQERBDKWFELA-UHFFFAOYSA-N |
Product Overview
5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione (CAS 60784-70-5), with molecular formula C13H22N2O3 and molecular weight 254.16 g/mol. IUPAC: 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione
The XLogP value of 3.0 indicates that 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione has 2 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-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione is 60784-70-5.
What is the molecular formula of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione is C13H22N2O3.
What is the molecular weight of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione is 254.16 g/mol.
Where can I buy 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-heptyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.