S-(2-chloro-1,1,2-trifluoroethyl)glutathione
TL;DR: S-(2-chloro-1,1,2-trifluoroethyl)glutathione (CAS 85403-94-7) is a chemical compound with molecular formula C12H17ClF3N3O6S and molecular weight 423.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: CTFG, S-(2-Chloro-1,1,2-trifluoroethyl)glutathione, S-(2-chloro,1,1,2-trifluoroethyl)glutathione, Glycine, N-(S-(2-chloro-1,1,2-trifluoroethyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
| Molecular Formula | C12H17ClF3N3O6S |
|---|---|
| Molecular Weight | 423.05 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 423.04788 |
| Heavy Atoms | 26 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 85403-94-7 |
|---|---|
| SMILES | C(CC(=O)N[C@@H](CSC(C(F)Cl)(F)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| InChIKey | LVXLCZPTUBQNHH-KNNPZSQVSA-N |
Product Overview
S-(2-chloro-1,1,2-trifluoroethyl)glutathione (CAS 85403-94-7), with molecular formula C12H17ClF3N3O6S and molecular weight 423.05 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of S-(2-chloro-1,1,2-trifluoroethyl)glutathione
Property Insights of S-(2-chloro-1,1,2-trifluoroethyl)glutathione
The XLogP value of -2.3 indicates that S-(2-chloro-1,1,2-trifluoroethyl)glutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting S-(2-chloro-1,1,2-trifluoroethyl)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(2-chloro-1,1,2-trifluoroethyl)glutathione has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2-chloro-1,1,2-trifluoroethyl)glutathione?
The CAS number of S-(2-chloro-1,1,2-trifluoroethyl)glutathione is 85403-94-7.
What is the molecular formula of S-(2-chloro-1,1,2-trifluoroethyl)glutathione?
The molecular formula of S-(2-chloro-1,1,2-trifluoroethyl)glutathione is C12H17ClF3N3O6S.
What is the molecular weight of S-(2-chloro-1,1,2-trifluoroethyl)glutathione?
The molecular weight of S-(2-chloro-1,1,2-trifluoroethyl)glutathione is 423.05 g/mol.
Where can I buy S-(2-chloro-1,1,2-trifluoroethyl)glutathione?
You can request a quote for S-(2-chloro-1,1,2-trifluoroethyl)glutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-chloro-1,1,2-trifluoroethyl)glutathione?
Yes, KEHONG BIO provides custom synthesis services for S-(2-chloro-1,1,2-trifluoroethyl)glutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.