![Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate structure](/static/products/5193/51934-29-3.webp)
Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate
TL;DR: Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate (CAS 51934-29-3) is a chemical compound with molecular formula C22H25N11O5 and molecular weight 523.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-[(7-amino-3,4,5,6,8,10,11,13-octazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-12-yl)methylamino]benzoyl]amino]pentanedioate
Also Known As: Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate
| Molecular Formula | C22H25N11O5 |
|---|---|
| Molecular Weight | 523.20 g/mol |
| LogP | 0.0566 |
| Topological Polar Surface Area | 214.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 523.20404 |
| Heavy Atoms | 38 |
| Complexity | 1457.6356 |
Chemical Identifiers
| CAS Number | 51934-29-3 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N4C3=NN=N4)N)N=N2 |
Product Overview
Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate (CAS 51934-29-3), with molecular formula C22H25N11O5 and molecular weight 523.20 g/mol. IUPAC: diethyl 2-[[4-[(7-amino-3,4,5,6,8,10,11,13-octazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-12-yl)methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate
Property Insights of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate
The XLogP value of 0.0566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate. The TPSA of 214.39 Ų indicates high polarity, suggesting Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate has 3 hydrogen bond donor(s) and 14 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-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate?
The CAS number of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate is 51934-29-3.
What is the molecular formula of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate?
The molecular formula of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate is C22H25N11O5.
What is the molecular weight of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate?
The molecular weight of Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate is 523.20 g/mol.
Where can I buy Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate?
You can request a quote for Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-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-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl N-(4-{[(5-aminotetrazolo[1',5':1,6]pyrimido[5,4-e][1,2,4]triazin-9-yl)methyl]amino}benzoyl)glutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.