N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide
TL;DR: N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide (CAS 848867-13-0) is a chemical compound with molecular formula C30H33F3N2O4 and molecular weight 542.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-propan-2-yloxybenzamide
Also Known As: N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide, N-[1-(cyclohexylmethyl)-5-methyl-2-oxo-4-(phenylcarbonyl)-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-4-(propan-2-yloxy)benzamide, N-[4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-propan-2-yloxybenzamide
| Molecular Formula | C30H33F3N2O4 |
|---|---|
| Molecular Weight | 542.24 g/mol |
| LogP | 6.0841 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.23926 |
| Heavy Atoms | 39 |
| Complexity | 1249.2185 |
Chemical Identifiers
| CAS Number | 848867-13-0 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1CC2CCCCC2)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)OC(C)C)C(=O)C4=CC=CC=C4 |
Product Overview
N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide (CAS 848867-13-0), with molecular formula C30H33F3N2O4 and molecular weight 542.24 g/mol. IUPAC: N-[4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-4-propan-2-yloxybenzamide.
Chemical Property Profile of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide
Property Insights of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide
The XLogP value of 6.0841 indicates that N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide. Following Lipinski's Rule of Five, N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide has 1 hydrogen bond donor(s) and 4 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-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide?
The CAS number of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide is 848867-13-0.
What is the molecular formula of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide?
The molecular formula of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide is C30H33F3N2O4.
What is the molecular weight of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide?
The molecular weight of N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide is 542.24 g/mol.
Where can I buy N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide?
You can request a quote for N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide 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-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-benzoyl-1-(cyclohexylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-isopropoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.