S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione
TL;DR: S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione (CAS 122652-97-5) is a chemical compound with molecular formula C13H16Cl2F3N3O6S and molecular weight 469.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2R)-2-amino-3-[(E)-1,2-dichloro-3,3,3-trifluoroprop-1-enyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Also Known As: Dctfpg, S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione, (2S)-2-amino-5-[[(2R)-2-amino-3-[(E)-1,2-dichloro-3,3,3-trifluoroprop-1-enyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid, Glycine, N-(S-(1,2-dichloro-3,3,3-trifluoro-1-propenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (E)-, RefChem:180473
| Molecular Formula | C13H16Cl2F3N3O6S |
|---|---|
| Molecular Weight | 469.01 g/mol |
| LogP | 0.8878 |
| Topological Polar Surface Area | 164.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.0089 |
| Heavy Atoms | 28 |
| Complexity | 661.9205 |
Chemical Identifiers
| CAS Number | 122652-97-5 |
|---|---|
| SMILES | C(CC(=O)N(CC(=O)O)C(=O)[C@H](CS/C(=C(/C(F)(F)F)\Cl)/Cl)N)[C@@H](C(=O)O)N |
Product Overview
S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione (CAS 122652-97-5), with molecular formula C13H16Cl2F3N3O6S and molecular weight 469.01 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-2-amino-3-[(E)-1,2-dichloro-3,3,3-trifluoroprop-1-enyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid.
Chemical Property Profile of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione
Property Insights of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione
The XLogP value of 0.8878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione. The TPSA of 164.02 Ų indicates high polarity, suggesting S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione has 4 hydrogen bond donor(s) and 7 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-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione?
The CAS number of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione is 122652-97-5.
What is the molecular formula of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione?
The molecular formula of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione is C13H16Cl2F3N3O6S.
What is the molecular weight of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione?
The molecular weight of S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione is 469.01 g/mol.
Where can I buy S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione?
You can request a quote for S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione?
Yes, KEHONG BIO provides custom synthesis services for S-(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)glutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.