methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate (CAS 405279-31-4) is a chemical compound with molecular formula C10H10N4O2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-2-phenyltriazole-4-carboxylate
Also Known As: methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate, ZERO/003121, methyl 5-amino-2-phenyltriazole-4-carboxylate, methyl 5-amino-2-phenyl-triazole-4-carboxylate, methyl 5-amino-2-phenyl-1,2,3-triazole-4-carboxylate
| Molecular Formula | C10H10N4O2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.08037 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 405279-31-4 |
|---|---|
| SMILES | COC(=O)C1=NN(N=C1N)C2=CC=CC=C2 |
| InChIKey | DFYOHFQVKZGBFW-UHFFFAOYSA-N |
Product Overview
methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate (CAS 405279-31-4), with molecular formula C10H10N4O2 and molecular weight 218.08 g/mol. IUPAC: methyl 5-amino-2-phenyltriazole-4-carboxylate.
Chemical Property Profile of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is 405279-31-4.
What is the molecular formula of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is C10H10N4O2.
What is the molecular weight of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is 218.08 g/mol.
Where can I buy methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 5-amino-2-phenyl-2H-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-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.