5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CAS 66941-84-2) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-pentylbarbituric acid, 5-allyl-5-pentyl-barbituric acid, 5-Allyl-5-pentyl-2,4,6 -pyrimidinetrione, BARBITURIC ACID, 5-ALLYL-5-PENTYL-, 5-pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 66941-84-2 |
|---|---|
| SMILES | CCCCCC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | VLKVZSPCDAYOSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CAS 66941-84-2), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 5-pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-Pentyl-5-prop-2-enyl-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-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is 66941-84-2.
What is the molecular formula of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C12H18N2O3.
What is the molecular weight of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is 238.13 g/mol.
Where can I buy 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Pentyl-5-prop-2-enyl-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-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.