![ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate structure](/static/products/6224/6224-74-4.webp)
ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate
TL;DR: ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate (CAS 6224-74-4) is a chemical compound with molecular formula C18H19N5O2 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate
Also Known As: ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate, ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate, Ethyl 4-(2,5-dimethyl-3-{[(4H-1,2,4-triazol-4-yl)imino]methyl}-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C18H19N5O2 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.15387 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 6224-74-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NN3C=NN=C3)C |
| InChIKey | BQHQXVWITSLFQK-UHFFFAOYSA-N |
Product Overview
ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate (CAS 6224-74-4), with molecular formula C18H19N5O2 and molecular weight 337.15 g/mol. IUPAC: ethyl 4-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate
Property Insights of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate has 0 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 ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate?
The CAS number of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate is 6224-74-4.
What is the molecular formula of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate?
The molecular formula of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate is C18H19N5O2.
What is the molecular weight of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate?
The molecular weight of ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate is 337.15 g/mol.
Where can I buy ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate?
You can request a quote for ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]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-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.