TL;DR: Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate (CAS 152781-25-4) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
Also Known As: Fmoc-Asn-OtBu, Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate, Tert-butyl 3-carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate, tert-butyl 3-carbamoyl-2-[(fluoren-9-ylmethoxy)carbonylamino]propanoate, tert-butyl 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
| Molecular Formula | C23H26N2O5 |
| Molecular Weight | 410.18417 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.18417 Da |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
| SMILES | CC(C)(C)OC(=O)C(CC(=O)N)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| InChIKey | LXTHDMGKTOELQD-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate. Following Lipinski's Rule of Five, Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate 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 Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate is 152781-25-4.
The molecular formula of Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate is C23H26N2O5.
The molecular weight of Tert-butyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-asparaginate is 410.18417 g/mol.
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