![1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium structure](/static/products/6546/6546-49-2.webp)
1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium
TL;DR: 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium (CAS 6546-49-2) is a chemical compound with molecular formula C28H23N4O4+ and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]acetate
Also Known As: 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium, ethyl 2-[3-[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]acetate
| Molecular Formula | C28H23N4O4+ |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 3.7344 |
| Topological Polar Surface Area | 86.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.17194 |
| Heavy Atoms | 36 |
| Complexity | 1473.9476 |
Chemical Identifiers
| CAS Number | 6546-49-2 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium (CAS 6546-49-2), with molecular formula C28H23N4O4+ and molecular weight 479.17 g/mol. IUPAC: ethyl 2-[3-[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]acetate.
Chemical Property Profile of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium
Property Insights of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium
The XLogP value of 3.7344 indicates that 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium. Following Lipinski's Rule of Five, 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium has 0 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 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium?
The CAS number of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium is 6546-49-2.
What is the molecular formula of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium?
The molecular formula of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium is C28H23N4O4+.
What is the molecular weight of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium?
The molecular weight of 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium is 479.17 g/mol.
Where can I buy 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium?
You can request a quote for 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxy-2-oxoethyl)-3-{4-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]-1-phenyl-1H-pyrazol-3-yl}pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.