TL;DR: (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid (CAS 1366250-88-5) is a chemical compound with molecular formula C31H27NO5 and molecular weight 493.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
Also Known As: (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic Acid
| Molecular Formula | C31H27NO5 |
| Molecular Weight | 493.18893 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 493.18893 Da |
| Heavy Atoms | 37 |
| Complexity | 722.0 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
| InChIKey | YSLBIRUTJJQVEM-GDLZYMKVSA-N |
The XLogP value of 5.5 indicates that (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid. Following Lipinski's Rule of Five, (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid is 1366250-88-5.
The molecular formula of (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid is C31H27NO5.
The molecular weight of (3R)-3-[4-(benzyloxy)phenyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid is 493.18893 g/mol.
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