![ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate structure](/static/products/899/899975-12-3.png)
ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
TL;DR: ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate (CAS 899975-12-3) is a chemical compound with molecular formula C15H16N6O2 and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
Also Known As: ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate, ethyl 4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]benzoate, F2792-0369, ethyl 4-((3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)benzoate
| Molecular Formula | C15H16N6O2 |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 2.1615 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.13348 |
| Heavy Atoms | 23 |
| Complexity | 827.6043 |
Chemical Identifiers
| CAS Number | 899975-12-3 |
|---|---|
| SMILES | CCN1C2=NC=NC(=C2N=N1)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate (CAS 899975-12-3), with molecular formula C15H16N6O2 and molecular weight 312.13 g/mol. IUPAC: ethyl 4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]benzoate.
Chemical Property Profile of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
Property Insights of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
The XLogP value of 2.1615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate has 1 hydrogen bond donor(s) and 7 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-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
The CAS number of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate is 899975-12-3.
What is the molecular formula of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
The molecular formula of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate is C15H16N6O2.
What is the molecular weight of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
The molecular weight of ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate is 312.13 g/mol.
Where can I buy ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
You can request a quote for ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)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-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.