TL;DR: Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate (CAS 1155457-90-1) is a chemical compound with molecular formula C23H23NO3 and molecular weight 361.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate
Also Known As: H-TYR-OBZL, HAFNIUMTERT-BUTOXIDE, O-Benzyl-L-tyrosine benzyl ester, Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate, Benzyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate
| Molecular Formula | C23H23NO3 |
| Molecular Weight | 361.1678 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.1678 Da |
| Heavy Atoms | 27 |
| Complexity | 421.0 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)N |
| InChIKey | UCRXQUVKDMVBBM-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate. Following Lipinski's Rule of Five, Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate has 1 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 Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate is 1155457-90-1.
The molecular formula of Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate is C23H23NO3.
The molecular weight of Benzyl 2-amino-3-(4-(benzyloxy)phenyl)propanoate is 361.1678 g/mol.
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