S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione
TL;DR: S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione (CAS 89021-88-5) is a chemical compound with molecular formula C14H16Cl5N3O6S and molecular weight 528.9202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
Also Known As: PCBG, S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione, 1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene, S-(1,2,3,4,4-Pentachloro-1,3-butadienyl)glutathione, Glycine, N-[N-L-g-glutamyl-S-(1,2,3,4,4-pentachloro-1,3-butadienyl)-L-cysteinyl]-(9CI)
Technical Specifications
| Molecular Formula | C14H16Cl5N3O6S |
| Molecular Weight | 528.9202 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 530.9173 Da |
| Heavy Atoms | 29 |
| Complexity | 714.0 |
| SMILES | C(CC(=O)N[C@@H](CSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| InChIKey | VZRXIAGWZWMHMI-WDSKDSINSA-N |
Chemical Property Profile of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione
Property Insights of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione
The XLogP value of -0.2 indicates that S-(1,2,3,4,4-Pentachlorobutadienyl)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-(1,2,3,4,4-Pentachlorobutadienyl)glutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione?
The CAS number of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione is 89021-88-5.
What is the molecular formula of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione?
The molecular formula of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione is C14H16Cl5N3O6S.
What is the molecular weight of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione?
The molecular weight of S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione is 528.9202 g/mol.
Where can I buy S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione?
You can request a quote for S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione?
Yes, CoreyChem provides custom synthesis services for S-(1,2,3,4,4-Pentachlorobutadienyl)glutathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.