TL;DR: N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine (CAS 39484-09-8) is a chemical compound with molecular formula C11H13NO5S and molecular weight 271.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-(2,5-dihydroxyphenyl)sulfanylpropanoic acid
Also Known As: Nac-dpc, N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine, N-Acetyl-S-(2,5-dihydroxyphenyl)-L-cysteine, 2,5-Dihydroxyphenyl mercapturic acid, 2-(N-acetylcystein-S-yl)hydroquinone
| Molecular Formula | C11H13NO5S |
| Molecular Weight | 271.05145 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.05145 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | CC(=O)N[C@@H](CSC1=C(C=CC(=C1)O)O)C(=O)O |
| InChIKey | MGRMXYTUNZXUAF-QMMMGPOBSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine has 4 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-Acetyl-S-(2,5-dihydroxyphenyl)cysteine is 39484-09-8.
The molecular formula of N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine is C11H13NO5S.
The molecular weight of N-Acetyl-S-(2,5-dihydroxyphenyl)cysteine is 271.05145 g/mol.
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