N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine
TL;DR: N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine (CAS 13922-45-7) is a chemical compound with molecular formula C7H9Br2F2NO3S and molecular weight 382.8638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-(1,1-dibromo-2,2-difluoroethyl)sulfanylpropanoic acid
Also Known As: Dbdfe-nac, L-Cysteine, N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-, N-Acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine, N-Acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-L-cysteine, (2R)-2-acetamido-3-(1,1-dibromo-2,2-difluoroethyl)sulfanylpropanoic acid
Technical Specifications
| Molecular Formula | C7H9Br2F2NO3S |
| Molecular Weight | 382.8638 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.8638 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | CC(=O)N[C@@H](CSC(C(F)F)(Br)Br)C(=O)O |
| InChIKey | XVSSOUNHNGSSKQ-BYPYZUCNSA-N |
Chemical Property Profile of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine
Property Insights of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine. Following Lipinski's Rule of Five, N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine?
The CAS number of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine is 13922-45-7.
What is the molecular formula of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine?
The molecular formula of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine is C7H9Br2F2NO3S.
What is the molecular weight of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine?
The molecular weight of N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine is 382.8638 g/mol.
Where can I buy N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine?
You can request a quote for N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine?
Yes, CoreyChem provides custom synthesis services for N-acetyl-S-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.