TL;DR: RefChem:321507 (CAS 73220-01-6) is a chemical compound with molecular formula C16H23Br2ClN2O3 and molecular weight 483.9764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide chloride
Also Known As: (S)-(-)-2-((3,5-Dibromo-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride, (S)-(-)-3,5-Dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride, Benzamide, 3,5-dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, monohydrochloride, (S)-(-)-, 3,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide chloride, BENZAMIDE, 3,5-DIBROMO-2,6-DIMETHOXY-N-(1-ETHYL-2-PYRROLIDINYLMETHYL)-, MONOHYDR
| Molecular Formula | C16H23Br2ClN2O3 |
| Molecular Weight | 483.9764 g/mol |
| XLogP | -0.97 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.97437 Da |
| Heavy Atoms | 24 |
| Complexity | 384.0 |
| SMILES | CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2OC)Br)Br)OC.[Cl-] |
| InChIKey | HRXLYQNSAFLNEJ-PPHPATTJSA-N |
The XLogP value of -0.97 indicates that RefChem:321507 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:321507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:321507 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:321507 is 73220-01-6.
The molecular formula of RefChem:321507 is C16H23Br2ClN2O3.
The molecular weight of RefChem:321507 is 483.9764 g/mol.
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