TL;DR: L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)- (CAS 107077-73-6) is a chemical compound with molecular formula C8H12ClNO3S and molecular weight 237.02264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-[(E)-3-chloroprop-2-enyl]sulfanylpropanoic acid
Also Known As: ACPEC, N-acetyl-S- cysteine, (E-3-Chloro-2-propenyl)mercapturic acid, 3-Chloro-2-propenyl-N-acetyl-L-cysteine, N-Acetyl-S-(3-chloroprop-2-enyl)cysteine
| Molecular Formula | C8H12ClNO3S |
| Molecular Weight | 237.02264 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.02264 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | CC(=O)N[C@@H](CSC/C=C/Cl)C(=O)O |
| InChIKey | HTIMWNVASRHSBX-AIYRYJHASA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)-. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)-. Following Lipinski's Rule of Five, L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)- is 107077-73-6.
The molecular formula of L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)- is C8H12ClNO3S.
The molecular weight of L-Cysteine, N-acetyl-S-(3-chloro-2-propenyl)-, (E)- is 237.02264 g/mol.
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