TL;DR: ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate (CAS 1292189-27-5) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate
Also Known As: ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate, ethyl 3-amino-3-(2,3-dichlorophenyl)propanoate, Ethyl (R)-3-amino-3-(2,3-dichlorophenyl)propanoate, Benzenepropanoic acid, I(2)-amino-2,3-dichloro-, ethyl ester, (I(2)R)-
| Molecular Formula | C11H13Cl2NO2 |
| Molecular Weight | 261.03235 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.03235 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | CCOC(=O)C[C@H](C1=C(C(=CC=C1)Cl)Cl)N |
| InChIKey | ZTXFSUQPHPWBCG-SECBINFHSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate is 1292189-27-5.
The molecular formula of ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate is C11H13Cl2NO2.
The molecular weight of ethyl (3R)-3-amino-3-(2,3-dichlorophenyl)propanoate is 261.03235 g/mol.
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