![ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate structure](/static/products/373/373610-57-2.png)
ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate
TL;DR: ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate (CAS 373610-57-2) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]benzoate
Also Known As: ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate, 4-[1-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-ethylamino]-benzoic acid ethyl ester, ethyl 4-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoate, ethyl 4-{[1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl]amino}benzoate
| Molecular Formula | C17H19N3O5 |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 1.107 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.13248 |
| Heavy Atoms | 25 |
| Complexity | 951.97424 |
Chemical Identifiers
| CAS Number | 373610-57-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C(C)C2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate (CAS 373610-57-2), with molecular formula C17H19N3O5 and molecular weight 345.13 g/mol. IUPAC: ethyl 4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]benzoate.
Chemical Property Profile of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate
Property Insights of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate
The XLogP value of 1.107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate has 1 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 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The CAS number of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate is 373610-57-2.
What is the molecular formula of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The molecular formula of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate is C17H19N3O5.
What is the molecular weight of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The molecular weight of ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate is 345.13 g/mol.
Where can I buy ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
You can request a quote for ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.