TL;DR: 5'-Benzyloxy Carvedilol (CAS 1217637-76-7) is a chemical compound with molecular formula C31H32N2O5 and molecular weight 512.23114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-5-phenylmethoxyphenoxy)ethylamino]propan-2-ol
Also Known As: 5'-Benzyloxy Carvedilol, 5'-Benzyloxy Carvedilol, (R)-(+)-5'-Benzyloxy Carvedilol, (S)-(-)-5'-Benzyloxyphenyl Carvedilol, (R)-(+)-5'-BENZYLOXY-CARVEDILOL
| Molecular Formula | C31H32N2O5 |
| Molecular Weight | 512.23114 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 512.23114 Da |
| Heavy Atoms | 38 |
| Complexity | 677.0 |
| SMILES | COC1=C(C=C(C=C1)OCC2=CC=CC=C2)OCCNCC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O |
| InChIKey | VZHXJWOZEWRBDU-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 5'-Benzyloxy Carvedilol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Benzyloxy Carvedilol. Following Lipinski's Rule of Five, 5'-Benzyloxy Carvedilol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5'-Benzyloxy Carvedilol is 1217637-76-7.
The molecular formula of 5'-Benzyloxy Carvedilol is C31H32N2O5.
The molecular weight of 5'-Benzyloxy Carvedilol is 512.23114 g/mol.
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