(Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate (CAS 799809-05-5) is a chemical compound with molecular formula C28H26N2O6 and molecular weight 486.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
Also Known As: (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate, ethyl 4-[5-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate, Ethyl 4-[5-[[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furyl]benzoate, ethyl 4-{5-[(Z)-{1-[4-(butan-2-yl)phenyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]furan-2-yl}benzoate
| Molecular Formula | C28H26N2O6 |
|---|---|
| Molecular Weight | 486.18 g/mol |
| LogP | 5.3032 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.17908 |
| Heavy Atoms | 36 |
| Complexity | 1335.1193 |
Chemical Identifiers
| CAS Number | 799809-05-5 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC)/C(=O)NC2=O |
Product Overview
(Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate (CAS 799809-05-5), with molecular formula C28H26N2O6 and molecular weight 486.18 g/mol. IUPAC: ethyl 4-[5-[(Z)-[1-(4-butan-2-ylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 5.3032 indicates that (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is 799809-05-5.
What is the molecular formula of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is C28H26N2O6.
What is the molecular weight of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is 486.18 g/mol.
Where can I buy (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(5-((1-(4-(sec-butyl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.