TL;DR: L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)- (CAS 124076-70-6) is a chemical compound with molecular formula C7H9Cl2F2NO3S and molecular weight 294.9648 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-(2,2-dichloro-1,1-difluoroethyl)sulfanylpropanoic acid
Also Known As: 9-(2-(Phosphonomethoxy)ethoxy)adenine, L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-, N-Acetyl-S-(1,1-difluoro-2,2-dichloroethyl)-L-cysteine, N-Acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-L-cysteine, L-Cysteine,N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-
| Molecular Formula | C7H9Cl2F2NO3S |
| Molecular Weight | 294.9648 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.9648 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CC(=O)N[C@@H](CSC(C(Cl)Cl)(F)F)C(=O)O |
| InChIKey | CLHGZGQHCNUIIY-BYPYZUCNSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-. Following Lipinski's Rule of Five, L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)- has 2 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 L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)- is 124076-70-6.
The molecular formula of L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)- is C7H9Cl2F2NO3S.
The molecular weight of L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)- is 294.9648 g/mol.
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