N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine
TL;DR: N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine (CAS 126609-61-8) is a chemical compound with molecular formula C7H9Cl2F2NO3S and molecular weight 294.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(1,1-dichloro-2,2-difluoroethyl)sulfanylpropanoic acid
Also Known As: Dcdfe-nac, Ammonium tungstoborate, 3-(dodecylamino)propane-1-sulfonic acid, 1-Propanesulfonic acid,3-dodecylamino, L-Cysteine, N-acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-
| Molecular Formula | C7H9Cl2F2NO3S |
|---|---|
| Molecular Weight | 294.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.9648 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 126609-61-8 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSC(C(F)F)(Cl)Cl)C(=O)O |
| InChIKey | RTRZGBFAGGGFII-BYPYZUCNSA-N |
Product Overview
N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine (CAS 126609-61-8), with molecular formula C7H9Cl2F2NO3S and molecular weight 294.96 g/mol. IUPAC: (2R)-2-acetamido-3-(1,1-dichloro-2,2-difluoroethyl)sulfanylpropanoic acid.
Chemical Property Profile of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine
Property Insights of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-(1,1-dichloro-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-dichloro-2,2-difluoroethyl)-1-cysteine. Following Lipinski's Rule of Five, N-Acetyl-S-(1,1-dichloro-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
Frequently Asked Questions
What is the CAS number of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine?
The CAS number of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine is 126609-61-8.
What is the molecular formula of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine?
The molecular formula of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine is C7H9Cl2F2NO3S.
What is the molecular weight of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine?
The molecular weight of N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine is 294.96 g/mol.
Where can I buy N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine?
You can request a quote for N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-(1,1-dichloro-2,2-difluoroethyl)-1-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.