5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
TL;DR: 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CAS 69855-52-3) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: Dimethylipral, Probarbital-permethylated, NIOSH/CQ4076000, 1,3-Dimethyl-5-ethyl-5-isopropylbarbituric acid, 5-ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 69855-52-3 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)C)C)C(C)C |
| InChIKey | LHUCSKCTEVUXIP-UHFFFAOYSA-N |
Product Overview
5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CAS 69855-52-3), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 5-ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Property Insights of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione. With a topological polar surface area (TPSA) of 57.7 Ų, 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione 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-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is 69855-52-3.
What is the molecular formula of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is C11H18N2O3.
What is the molecular weight of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is 226.13 g/mol.
Where can I buy 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Ethyl-1,3-dimethyl-5-propan-2-yl-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-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.