TL;DR: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide (CAS 1041718-21-1) is a chemical compound with molecular formula C32H29FN2O6 and molecular weight 556.201 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide, N-[2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(2-fluorobenzyl)-2-phenylacetamide, N-{2-[(2H-1,3-Benzodioxol-5-yl)amino]-1-(3,4-dimethoxyphenyl)-2-oxoethyl}-N-[(2-fluorophenyl)methyl]-2-phenylacetamide, N-1,3-Benzodioxol-5-yl-I+/--[[(2-fluorophenyl)methyl](2-phenylacetyl)amino]-3,4-dimethoxybenzeneacetamide
| Molecular Formula | C32H29FN2O6 |
| Molecular Weight | 556.201 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 556.201 Da |
| Heavy Atoms | 41 |
| Complexity | 856.0 |
| SMILES | COC1=C(C=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CC=CC=C4F)C(=O)CC5=CC=CC=C5)OC |
| InChIKey | IDHAWEDITCOTKC-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide is 1041718-21-1.
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide is C32H29FN2O6.
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]acetamide is 556.201 g/mol.
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