![Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate structure](/static/products/5489/5489-85-0.webp)
Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
TL;DR: Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate (CAS 5489-85-0) is a chemical compound with molecular formula C24H25N7O4 and molecular weight 475.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
Also Known As: dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate, dibenzyl n-(5-amino-3-ethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)aspartate
| Molecular Formula | C24H25N7O4 |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 475.1968 |
| Heavy Atoms | 35 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 5489-85-0 |
|---|---|
| SMILES | CCN1C2=NC(=NC(=C2N=N1)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N |
| InChIKey | OCVLDYXMPFHUOC-UHFFFAOYSA-N |
Product Overview
Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate (CAS 5489-85-0), with molecular formula C24H25N7O4 and molecular weight 475.20 g/mol. IUPAC: dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate.
Chemical Property Profile of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
Property Insights of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
The XLogP value of 3.3 indicates that Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate has 2 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 Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate?
The CAS number of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate is 5489-85-0.
What is the molecular formula of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate?
The molecular formula of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate is C24H25N7O4.
What is the molecular weight of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate?
The molecular weight of Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate is 475.20 g/mol.
Where can I buy Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate?
You can request a quote for Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl 2-[(5-amino-3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.