![methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate structure](/static/products/577/577999-67-8.png)
methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate
TL;DR: methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate (CAS 577999-67-8) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]benzoate
Also Known As: methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate, methyl 3-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoate, methyl 3-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]amino}benzoate
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 0.7169 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 953.1608 |
Chemical Identifiers
| CAS Number | 577999-67-8 |
|---|---|
| SMILES | CC(=NC1=CC=CC(=C1)C(=O)OC)C2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate (CAS 577999-67-8), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: methyl 3-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]benzoate.
Chemical Property Profile of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate
Property Insights of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate
The XLogP value of 0.7169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[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 methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate. Following Lipinski's Rule of Five, methyl 3-[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 methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The CAS number of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate is 577999-67-8.
What is the molecular formula of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The molecular formula of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate is C16H17N3O5.
What is the molecular weight of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
The molecular weight of methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate is 331.12 g/mol.
Where can I buy methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
You can request a quote for methyl 3-[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 methyl 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[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.