TL;DR: Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate (CAS 153566-22-4) is a chemical compound with molecular formula C23H23ClN2O5 and molecular weight 442.12955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoate
Also Known As: Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate, N-[2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]-L-alanine methyl ester, Methyl (2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]propanoate
| Molecular Formula | C23H23ClN2O5 |
| Molecular Weight | 442.12955 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.12955 Da |
| Heavy Atoms | 31 |
| Complexity | 666.0 |
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](C)C(=O)OC |
| InChIKey | AAPPTVQRFKMVTR-ZDUSSCGKSA-N |
The XLogP value of 4.3 indicates that Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate. Following Lipinski's Rule of Five, Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate has 1 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 Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate is 153566-22-4.
The molecular formula of Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate is C23H23ClN2O5.
The molecular weight of Methyl N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-alaninate is 442.12955 g/mol.
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