TL;DR: L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)- (CAS 120674-94-4) is a chemical compound with molecular formula C16H24N2O3S and molecular weight 324.15076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-(6-aminohexanoylamino)-3-benzylsulfanylpropanoic acid
Also Known As: N-(6-Aminohexanoyl)-S-benzylcysteine, L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)-, N-(6-Amino-1-hydroxyhexylidene)-S-benzylcysteine, N-(6-Amino-1-hydroxyhexylidene)-S-benzyl-L-cysteine, (2R)-2-(6-aminohexanamido)-3-(benzylsulfanyl)propanoic acid
| Molecular Formula | C16H24N2O3S |
| Molecular Weight | 324.15076 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 324.15076 Da |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
| SMILES | C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)CCCCCN |
| InChIKey | FNYVSLWVRPVHKR-AWEZNQCLSA-N |
The XLogP value of -0.9 indicates that L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)-. Following Lipinski's Rule of Five, L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)- has 3 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 L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)- is 120674-94-4.
The molecular formula of L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)- is C16H24N2O3S.
The molecular weight of L-Cysteine, N-(6-amino-1-oxohexyl)-S-(phenylmethyl)- is 324.15076 g/mol.
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