TL;DR: (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol (CAS 34380-47-7) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
Also Known As: KST-1B5994, (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol, 1-[4-(benzyloxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol, (1)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol, 1-[4-(Phenylmethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H25NO3 |
| Molecular Weight | 315.18344 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 315.18344 Da |
| Heavy Atoms | 23 |
| Complexity | 297.0 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)OCC2=CC=CC=C2)O |
| InChIKey | YUFPERPQVJMWEN-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol is 34380-47-7.
The molecular formula of (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol is C19H25NO3.
The molecular weight of (S)-1-(p-(Benzyloxy)phenoxy)-3-(isopropylamino)propan-2-ol is 315.18344 g/mol.
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