![Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate structure](/static/products/3535/35357-51-8.webp)
Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
TL;DR: Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate (CAS 35357-51-8) is a chemical compound with molecular formula C15H16N8O2 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Also Known As: 1,8-Naphthyridine,4-chloro, ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate, ethyl 4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoate, ethyl 4-(((5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl)amino)benzoate, Benzoic acid,4-[[(5,7-diaminopyrimido[5,4-e]-1,2,4-triazin-3-yl)methyl]amino]-, ethyl ester
| Molecular Formula | C15H16N8O2 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.13962 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 35357-51-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N=C3N=N2)N)N |
| InChIKey | VVXOWTDZGZTDQJ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate (CAS 35357-51-8), with molecular formula C15H16N8O2 and molecular weight 340.14 g/mol. IUPAC: ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Property Insights of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate. The TPSA of 155.0 Ų indicates high polarity, suggesting Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate has 3 hydrogen bond donor(s) and 10 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-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
The CAS number of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate is 35357-51-8.
What is the molecular formula of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
The molecular formula of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate is C15H16N8O2.
What is the molecular weight of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
The molecular weight of Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate is 340.14 g/mol.
Where can I buy Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
You can request a quote for Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]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-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.