![ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate structure](/static/products/899/899953-94-7.png)
ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
TL;DR: ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate (CAS 899953-94-7) is a chemical compound with molecular formula C14H14N6O2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
Also Known As: VU0499223-1, F2792-0157, ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate, ethyl 4-((3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)benzoate, ethyl 4-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
| Molecular Formula | C14H14N6O2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 1.6786 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.11783 |
| Heavy Atoms | 22 |
| Complexity | 811.81604 |
Chemical Identifiers
| CAS Number | 899953-94-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=NC=N2)N(N=N3)C |
Product Overview
ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate (CAS 899953-94-7), with molecular formula C14H14N6O2 and molecular weight 298.12 g/mol. IUPAC: ethyl 4-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]benzoate.
Chemical Property Profile of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
Property Insights of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate
The XLogP value of 1.6786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({3-methyl-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-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({3-methyl-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-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
The CAS number of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate is 899953-94-7.
What is the molecular formula of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
The molecular formula of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate is C14H14N6O2.
What is the molecular weight of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
The molecular weight of ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate is 298.12 g/mol.
Where can I buy ethyl 4-({3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
You can request a quote for ethyl 4-({3-methyl-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-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({3-methyl-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.