TL;DR: N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester (CAS 1212500-00-9) is a chemical compound with molecular formula C23H34N4O5 and molecular weight 446.25293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
Also Known As: N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester, Methyl N-[(2S)-1-(cyclohexylcarbamoyl)piperazine-2-carbonyl]-O-methyl-L-tyrosinate, methyl (2S)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
| Molecular Formula | C23H34N4O5 |
| Molecular Weight | 446.25293 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.25293 Da |
| Heavy Atoms | 32 |
| Complexity | 632.0 |
| SMILES | COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2CNCCN2C(=O)NC3CCCCC3 |
| InChIKey | QRPGYRVEIJFUFP-PMACEKPBSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester. Following Lipinski's Rule of Five, N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester is 1212500-00-9.
The molecular formula of N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester is C23H34N4O5.
The molecular weight of N-[[(2S)-1-[(Cyclohexylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-L-tyrosine methyl ester is 446.25293 g/mol.
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