TL;DR: B.D.H. 200 hydrochloride (CAS 63905-54-4) is a chemical compound with molecular formula C23H30ClNO4 and molecular weight 419.18634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: B.D.H. 200 hydrochloride, 4-Ethoxycarbonyl-1-(2-hydroxy-3-phenoxypropyl) 4-phenylpiperidine hydrochloride, Isonipecotic acid, 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-, ethyl ester, hydrochloride, ETHYL1-(2-HYDROXY-3-PHENOXYPROPYL)-4-PHENYLPIPERIDIN-1-IUM-4-CARBOXYLATECHLORIDE, ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
| Molecular Formula | C23H30ClNO4 |
| Molecular Weight | 419.18634 g/mol |
| XLogP | -1.39 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.18634 Da |
| Heavy Atoms | 29 |
| Complexity | 463.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC(COC2=CC=CC=C2)O)C3=CC=CC=C3.[Cl-] |
| InChIKey | YOTISNNICHWTFC-UHFFFAOYSA-N |
The XLogP value of -1.39 indicates that B.D.H. 200 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for B.D.H. 200 hydrochloride. Following Lipinski's Rule of Five, B.D.H. 200 hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of B.D.H. 200 hydrochloride is 63905-54-4.
The molecular formula of B.D.H. 200 hydrochloride is C23H30ClNO4.
The molecular weight of B.D.H. 200 hydrochloride is 419.18634 g/mol.
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