![Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate structure](/static/products/5542/55428-89-2.webp)
Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
TL;DR: Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate (CAS 55428-89-2) is a chemical compound with molecular formula C15H15N7O2 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Also Known As: ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate, Ethyl 4-{[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoate, BENZOIC ACID,4-[[(5-AMINOPYRIMIDO[5,4-E]-1,2,4-TRIAZIN-3-YL)METHYL]AMINO]-, ETHYL ESTER
| Molecular Formula | C15H15N7O2 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.12872 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 55428-89-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=CN=C3N=N2)N |
| InChIKey | DKSJYXUTHKYZHF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate (CAS 55428-89-2), with molecular formula C15H15N7O2 and molecular weight 325.13 g/mol. IUPAC: ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Property Insights of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate has 2 hydrogen bond donor(s) and 9 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-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
The CAS number of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate is 55428-89-2.
What is the molecular formula of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
The molecular formula of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate is C15H15N7O2.
What is the molecular weight of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
The molecular weight of Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate is 325.13 g/mol.
Where can I buy Ethyl 4-[(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
You can request a quote for Ethyl 4-[(5-aminopyrimido[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-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5-aminopyrimido[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.