N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide
TL;DR: N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide (CAS 848728-66-5) is a chemical compound with molecular formula C27H23F3N2O5 and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-benzoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]furan-2-carboxamide
Also Known As: N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide, N-[4-benzoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]furan-2-carboxamide, N-{1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-4-(phenylcarbonyl)-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl}furan-2-carboxamide
| Molecular Formula | C27H23F3N2O5 |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 4.5609 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1559 |
| Heavy Atoms | 37 |
| Complexity | 1332.621 |
Chemical Identifiers
| CAS Number | 848728-66-5 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1CCC2=CC=C(C=C2)OC)(C(F)(F)F)NC(=O)C3=CC=CO3)C(=O)C4=CC=CC=C4 |
Product Overview
N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide (CAS 848728-66-5), with molecular formula C27H23F3N2O5 and molecular weight 512.16 g/mol. IUPAC: N-[4-benzoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]furan-2-carboxamide.
Chemical Property Profile of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide
Property Insights of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide
The XLogP value of 4.5609 indicates that N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide. Following Lipinski's Rule of Five, N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide?
The CAS number of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide is 848728-66-5.
What is the molecular formula of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide?
The molecular formula of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide is C27H23F3N2O5.
What is the molecular weight of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide?
The molecular weight of N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide is 512.16 g/mol.
Where can I buy N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide?
You can request a quote for N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-benzoyl-1-(4-methoxyphenethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.