![[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate structure](/static/products/853/853726-48-4.png)
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 853726-48-4) is a chemical compound with molecular formula C18H16N4O6 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|MLS002248691|SMR001316151
| Molecular Formula | C18H16N4O6 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.14934 |
| Topological Polar Surface Area | 141.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.107 |
| Heavy Atoms | 28 |
| Complexity | 1064.4388 |
Chemical Identifiers
| CAS Number | 853726-48-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 853726-48-4), with molecular formula C18H16N4O6 and molecular weight 384.11 g/mol. IUPAC: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.14934 indicates that [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.22 Ų indicates high polarity, suggesting [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 8 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 [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 853726-48-4.
What is the molecular formula of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is C18H16N4O6.
What is the molecular weight of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 384.11 g/mol.
Where can I buy [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.