TL;DR: 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol (CAS 1217640-12-4) is a chemical compound with molecular formula C30H30N2O4 and molecular weight 482.22055 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-phenylmethoxyphenoxy)ethylamino]propan-2-ol
Also Known As: Carvedilol Impurity 1, 2'-O-Benzyloxy-2-O-desmethylcarvedilol, 2'-O-Benzyloxy-2-O-desmethyl Carvedilol, (S)-(-)-O-Benzyl-O-desmethylcarvedilol, 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol
| Molecular Formula | C30H30N2O4 |
| Molecular Weight | 482.22055 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 482.22055 Da |
| Heavy Atoms | 36 |
| Complexity | 630.0 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2OCCNCC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O |
| InChIKey | BBRBNXRUKJWSHW-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol. Following Lipinski's Rule of Five, 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol is 1217640-12-4.
The molecular formula of 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol is C30H30N2O4.
The molecular weight of 1-(9H-carbazol-4-yloxy)-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propan-2-ol is 482.22055 g/mol.
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