TL;DR: Betapressin (CAS 139369-66-7) is a chemical compound with molecular formula C18H31NO6S and molecular weight 389.1872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;sulfuric acid
Also Known As: PENBUTOLOL SULFATE, Betapressin, Levatol, (-)-Terbuclomine, Penbutolol sulfato
| Molecular Formula | C18H31NO6S |
| Molecular Weight | 389.1872 g/mol |
| XLogP | 2.8192 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.1872 Da |
| Heavy Atoms | 26 |
| Complexity | 375.0 |
| SMILES | CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O |
| InChIKey | KTXVDQNRHZQBOR-RSAXXLAASA-N |
The XLogP value of 2.8192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betapressin. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Betapressin. Following Lipinski's Rule of Five, Betapressin has 4 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 Betapressin is 139369-66-7.
The molecular formula of Betapressin is C18H31NO6S.
The molecular weight of Betapressin is 389.1872 g/mol.
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