![methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/892/892291-91-7.png)
methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate (CAS 892291-91-7) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate
Also Known As: ChemDiv2_002630, methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate, 5-Amino-1-phenylcarbamoylmethyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester, methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate, methyl 5-amino-1-(2-anilino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C12H13N5O3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 0.2856 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.10184 |
| Heavy Atoms | 20 |
| Complexity | 623.27795 |
Chemical Identifiers
| CAS Number | 892291-91-7 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2)N |
Product Overview
methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate (CAS 892291-91-7), with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol. IUPAC: methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate.
Chemical Property Profile of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 0.2856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate 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 methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate is 892291-91-7.
What is the molecular formula of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate is C12H13N5O3.
What is the molecular weight of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate is 275.10 g/mol.
Where can I buy methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.