TL;DR: Isoxsuprine lactate (CAS 58379-21-8) is a chemical compound with molecular formula C21H29NO6 and molecular weight 391.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;2-hydroxypropanoic acid
Also Known As: Isoxsuprine lactate, Hanegif, Duphaspasmin [veterinary] (TN), 2-hydroxypropanoic acid- 4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol(1:1), 2-Hydroxypropanoic acid--4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol (1/1)
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H29NO6 |
| Molecular Weight | 391.1995 g/mol |
| XLogP | 2.32 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.1995 Da |
| Heavy Atoms | 28 |
| Complexity | 358.0 |
| SMILES | CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.CC(C(=O)O)O |
| InChIKey | HPSNBOLYHJERIY-UHFFFAOYSA-N |
The XLogP value of 2.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxsuprine lactate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxsuprine lactate. Following Lipinski's Rule of Five, Isoxsuprine lactate has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoxsuprine lactate is 58379-21-8.
The molecular formula of Isoxsuprine lactate is C21H29NO6.
The molecular weight of Isoxsuprine lactate is 391.1995 g/mol.
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