TL;DR: (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid (CAS 142855-79-6) is a chemical compound with molecular formula C23H24N2O5 and molecular weight 408.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxoazepan-1-yl]acetic acid
Also Known As: (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid, Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame, Fmoc-[3S]-3-amino-1-carboxymethylcaprolactame, (3S)-Fmoc-3-amino-1-carboxymethyl-caprolactame, J1.861.253D
| Molecular Formula | C23H24N2O5 |
| Molecular Weight | 408.16852 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.16852 Da |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
| SMILES | C1CCN(C(=O)[C@H](C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O |
| InChIKey | ZYSRRJZAOFHCSC-FQEVSTJZSA-N |
The XLogP value of 3.1 indicates that (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid. Following Lipinski's Rule of Five, (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid is 142855-79-6.
The molecular formula of (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid is C23H24N2O5.
The molecular weight of (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid is 408.16852 g/mol.
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