1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester
TL;DR: 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester (CAS 67466-23-3) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetate
Also Known As: 5,5-Diallyl-1-(ethoxycarbonylmethyl)barbituric acid, 5-24-09-00250 (Beilstein Handbook Reference), Barbituric acid, 5,5-diallyl-1-(ethoxycarbonylmethyl)-, 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester, 5,5-Diallylhexahydro-2,4,6-trioxopyrimidineacetic acid ethyl ester
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 0.7665 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 487.59283 |
Chemical Identifiers
| CAS Number | 67466-23-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C |
Product Overview
1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester (CAS 67466-23-3), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: ethyl 2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetate.
Chemical Property Profile of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester
Property Insights of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester
The XLogP value of 0.7665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester. Following Lipinski's Rule of Five, 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester has 1 hydrogen bond donor(s) and 5 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-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester?
The CAS number of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester is 67466-23-3.
What is the molecular formula of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester?
The molecular formula of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester is C14H18N2O5.
What is the molecular weight of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester?
The molecular weight of 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester is 294.12 g/mol.
Where can I buy 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester?
You can request a quote for 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrimidineacetic acid, hexahydro-5,5-diallyl-2,4,6-trioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.