(Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
TL;DR: (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 843634-01-5) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
Also Known As: (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate, ethyl 4-[[(Z)-[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate, ethyl 4-[[1-[2-(cyclohexen-1-yl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoate, ethyl 4-{[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]amino}benzoate
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 1077.4324 |
Chemical Identifiers
| CAS Number | 843634-01-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)NC2=O)CCC3=CCCCC3)O |
Product Overview
(Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate (CAS 843634-01-5), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: ethyl 4-[[1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
Property Insights of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate
The XLogP value of 3.06 indicates that (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate has 2 hydrogen bond donor(s) and 6 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 (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The CAS number of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 843634-01-5.
What is the molecular formula of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular formula of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is C22H25N3O5.
What is the molecular weight of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
The molecular weight of (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate is 411.18 g/mol.
Where can I buy (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
You can request a quote for (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)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-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.