![methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate structure](/static/products/579/579441-15-9.png)
methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate
TL;DR: methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate (CAS 579441-15-9) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]benzoate
Also Known As: methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate, methyl 3-((1-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoate, methyl 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoate
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 1.0862 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 879.16644 |
Chemical Identifiers
| CAS Number | 579441-15-9 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(=O)OC)C2=C(NC(=O)NC2=O)O |
Product Overview
methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate (CAS 579441-15-9), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: methyl 3-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]benzoate.
Chemical Property Profile of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate
Property Insights of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate
The XLogP value of 1.0862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate. Following Lipinski's Rule of Five, methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate has 3 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-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate?
The CAS number of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate is 579441-15-9.
What is the molecular formula of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate?
The molecular formula of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate is C15H15N3O5.
What is the molecular weight of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate?
The molecular weight of methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate is 317.10 g/mol.
Where can I buy methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate?
You can request a quote for methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]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-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.