![diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate structure](/static/products/5193/51934-28-2.webp)
diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate
TL;DR: diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate (CAS 51934-28-2) is a chemical compound with molecular formula C22H27N9O5 and molecular weight 497.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
Also Known As: diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate, diethyl 2-[[4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
| Molecular Formula | C22H27N9O5 |
|---|---|
| Molecular Weight | 497.21 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 497.2135 |
| Heavy Atoms | 36 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 51934-28-2 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N=C3N=N2)N)N |
| InChIKey | WPNUPJYKBCQIOG-UHFFFAOYSA-N |
Product Overview
diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate (CAS 51934-28-2), with molecular formula C22H27N9O5 and molecular weight 497.21 g/mol. IUPAC: diethyl 2-[[4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate
Property Insights of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate. The TPSA of 210.0 Ų indicates high polarity, suggesting diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate?
The CAS number of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate is 51934-28-2.
What is the molecular formula of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate?
The molecular formula of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate is C22H27N9O5.
What is the molecular weight of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate?
The molecular weight of diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate is 497.21 g/mol.
Where can I buy diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate?
You can request a quote for diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate?
Yes, KEHONG BIO provides custom synthesis services for diethyl N-(4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoyl)glutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.