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Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate
TL;DR: Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate (CAS 50486-80-1) is a chemical compound with molecular formula C14H17N5O3 and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate
Also Known As: 1H-1,3-Triazole, acetic acid deriv., 1H-1,2,3-Triazole, acetic acid deriv., ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate, Acetic acid,2,3-triazol-4-yl]methyl]amino]oxo-, ethyl ester, ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoace
| Molecular Formula | C14H17N5O3 |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.13315 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 50486-80-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=C(N(N=N1)CC2=CC=CC=C2)N |
| InChIKey | ZBLUTWXQFJTHRW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate (CAS 50486-80-1), with molecular formula C14H17N5O3 and molecular weight 303.13 g/mol. IUPAC: ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate
Property Insights of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate has 2 hydrogen bond donor(s) and 6 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 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate?
The CAS number of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate is 50486-80-1.
What is the molecular formula of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate?
The molecular formula of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate is C14H17N5O3.
What is the molecular weight of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate?
The molecular weight of Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate is 303.13 g/mol.
Where can I buy Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate?
You can request a quote for Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(5-amino-1-benzyltriazol-4-yl)methylamino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.