5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 54965-32-1) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: Heptabarbital permethylated, Heptabarbitone-permethylated, Heptabarbital, 1,3-dimethyl, 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-5-ethyl-1,3-dimethyl-2,4,6 -pyrimidinetrione
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 54965-32-1 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)C)C)C2=CCCCCC2 |
| InChIKey | IOWZYALHIKMITA-UHFFFAOYSA-N |
Product Overview
5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 54965-32-1), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: 5-(cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 3.0 indicates that 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 54965-32-1.
What is the molecular formula of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C15H22N2O3.
What is the molecular weight of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 278.16 g/mol.
Where can I buy 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.