![ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate structure](/static/products/116/1164458-55-2.png)
ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate
TL;DR: ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate (CAS 1164458-55-2) is a chemical compound with molecular formula C16H16BrN3O5 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]propanoate
Also Known As: ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate, (E)-ethyl 3-(((1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)propanoate, ethyl 3-[[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]propanoate, ethyl N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-beta-alaninate
| Molecular Formula | C16H16BrN3O5 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 1.366 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.02734 |
| Heavy Atoms | 25 |
| Complexity | 899.4667 |
Chemical Identifiers
| CAS Number | 1164458-55-2 |
|---|---|
| SMILES | CCOC(=O)CCN=CC1=C(N(C(=O)NC1=O)C2=CC=C(C=C2)Br)O |
Product Overview
ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate (CAS 1164458-55-2), with molecular formula C16H16BrN3O5 and molecular weight 409.03 g/mol. IUPAC: ethyl 3-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]propanoate.
Chemical Property Profile of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate
Property Insights of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate
The XLogP value of 1.366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate. Following Lipinski's Rule of Five, ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate 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 ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate?
The CAS number of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate is 1164458-55-2.
What is the molecular formula of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate?
The molecular formula of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate is C16H16BrN3O5.
What is the molecular weight of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate?
The molecular weight of ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate is 409.03 g/mol.
Where can I buy ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate?
You can request a quote for ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.