TL;DR: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine (CAS 1173687-51-8) is a chemical compound with molecular formula C15H17ClN2O3 and molecular weight 308.09277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoic acid
Also Known As: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine, (S)-2-(5-chloro-1-methyl-1H-indole-2-carboxamido)-3-methylbutanoic acid, 2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoic Acid
| Molecular Formula | C15H17ClN2O3 |
| Molecular Weight | 308.09277 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.09277 Da |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl |
| InChIKey | TUTYFQVUJNFLSV-ZDUSSCGKSA-N |
The XLogP value of 3.2 indicates that N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine. Following Lipinski's Rule of Five, N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine has 2 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 N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine is 1173687-51-8.
The molecular formula of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine is C15H17ClN2O3.
The molecular weight of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine is 308.09277 g/mol.
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