S-(2,2-dichloro-1,1-difluoroethyl)cysteine
TL;DR: S-(2,2-dichloro-1,1-difluoroethyl)cysteine (CAS 124076-67-1) is a chemical compound with molecular formula C5H7Cl2F2NO2S and molecular weight 252.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(2,2-dichloro-1,1-difluoroethyl)sulfanylpropanoic acid
Also Known As: DCDFE-Cys, S-(2,2-Dichloro-1,1-difluoroethyl)-L-cysteine, S-(2,2-Dichloro-1,1-difluoroethyl)cysteine, S-(1,1-Difluoro-2,2-dichloroethyl)cysteine, S-(1,1-Difluoro-2,2-dichloroethyl)-L-cysteine
| Molecular Formula | C5H7Cl2F2NO2S |
|---|---|
| Molecular Weight | 252.95 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.95425 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 124076-67-1 |
|---|---|
| SMILES | C([C@@H](C(=O)O)N)SC(C(Cl)Cl)(F)F |
| InChIKey | ILJRPHVFFPPMOZ-REOHCLBHSA-N |
Product Overview
S-(2,2-dichloro-1,1-difluoroethyl)cysteine (CAS 124076-67-1), with molecular formula C5H7Cl2F2NO2S and molecular weight 252.95 g/mol. IUPAC: (2R)-2-amino-3-(2,2-dichloro-1,1-difluoroethyl)sulfanylpropanoic acid.
Chemical Property Profile of S-(2,2-dichloro-1,1-difluoroethyl)cysteine
Property Insights of S-(2,2-dichloro-1,1-difluoroethyl)cysteine
The XLogP value of -0.6 indicates that S-(2,2-dichloro-1,1-difluoroethyl)cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2,2-dichloro-1,1-difluoroethyl)cysteine. Following Lipinski's Rule of Five, S-(2,2-dichloro-1,1-difluoroethyl)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 S-(2,2-dichloro-1,1-difluoroethyl)cysteine?
The CAS number of S-(2,2-dichloro-1,1-difluoroethyl)cysteine is 124076-67-1.
What is the molecular formula of S-(2,2-dichloro-1,1-difluoroethyl)cysteine?
The molecular formula of S-(2,2-dichloro-1,1-difluoroethyl)cysteine is C5H7Cl2F2NO2S.
What is the molecular weight of S-(2,2-dichloro-1,1-difluoroethyl)cysteine?
The molecular weight of S-(2,2-dichloro-1,1-difluoroethyl)cysteine is 252.95 g/mol.
Where can I buy S-(2,2-dichloro-1,1-difluoroethyl)cysteine?
You can request a quote for S-(2,2-dichloro-1,1-difluoroethyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2,2-dichloro-1,1-difluoroethyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(2,2-dichloro-1,1-difluoroethyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.