methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate
TL;DR: methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate (CAS 554402-33-4) is a chemical compound with molecular formula C9H8N4O3 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-formylpyrrol-1-yl)-1H-1,2,4-triazole-5-carboxylate
Also Known As: methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate, methyl 3-(2-formylpyrrol-1-yl)-1H-1,2,4-triazole-5-carboxylate, METHYL 5-(2-FORMYLPYRROL-1-YL)-4H-1,2,4-TRIAZOLE-3-CARBOXYLATE, Methyl 5-(2-formyl-1H-pyrrol-1-yl)-1H-1,2,4-triazole-3-carboxylate, methyl 5-(2-formyl-1h-pyrrol-1-yl)-4h-[1,2,4]triazole-3-carboxylate
| Molecular Formula | C9H8N4O3 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 0.1945 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.05965 |
| Heavy Atoms | 16 |
| Complexity | 528.35144 |
Chemical Identifiers
| CAS Number | 554402-33-4 |
|---|---|
| SMILES | COC(=O)C1=NC(=NN1)N2C=CC=C2C=O |
Product Overview
methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate (CAS 554402-33-4), with molecular formula C9H8N4O3 and molecular weight 220.06 g/mol. IUPAC: methyl 3-(2-formylpyrrol-1-yl)-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate
Property Insights of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate
The XLogP value of 0.1945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-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-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate?
The CAS number of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate is 554402-33-4.
What is the molecular formula of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate?
The molecular formula of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate is C9H8N4O3.
What is the molecular weight of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate?
The molecular weight of methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate is 220.06 g/mol.
Where can I buy methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate?
You can request a quote for methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-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-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(2-formyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.