N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)
TL;DR: N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) (CAS 147529-90-6) is a chemical compound with molecular formula C18H28F6N4O6S2 and molecular weight 574.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[2-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
Also Known As: N,N'-Bis(prolyl)cystamine bis(trifluoroacetate), 2-Pyrrolidinecarboxamide, N,N'-(dithiodi-2,1-ethanediyl)bis-, (S-(R*,R*))-, bis(trifluoroacetate), (2S)-1-[2-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid, Acetic acid, 2,2,2-trifluoro-, compd.?with (2S,2'S)-1,1'-(dithiodi-2,1-ethanediyl)bis[2-pyrrolidinecarboxamide] (2:1), Trifluoroacetic acid--(2S)-1-[2-({2-[(2S)-2-carbamoylpyrrolidin-1-yl]ethyl}disulfanyl)ethyl]pyrrolidine-2-carboxamide (2/1)
Technical Specifications
| Molecular Formula | C18H28F6N4O6S2 |
| Molecular Weight | 574.13544 g/mol |
| XLogP | 1.5338 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.13544 Da |
| Heavy Atoms | 36 |
| Complexity | 444.0 |
| SMILES | C1C[C@H](N(C1)CCSSCCN2CCC[C@H]2C(=O)N)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
| InChIKey | BHVVBUUGFOZWRP-AQEKLAMFSA-N |
Chemical Property Profile of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)
Property Insights of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)
The XLogP value of 1.5338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(prolyl)cystamine bis(trifluoroacetate). The TPSA of 218.0 Ų indicates high polarity, suggesting N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)?
The CAS number of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) is 147529-90-6.
What is the molecular formula of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)?
The molecular formula of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) is C18H28F6N4O6S2.
What is the molecular weight of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)?
The molecular weight of N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) is 574.13544 g/mol.
Where can I buy N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)?
You can request a quote for N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-Bis(prolyl)cystamine bis(trifluoroacetate)?
Yes, CoreyChem provides custom synthesis services for N,N'-Bis(prolyl)cystamine bis(trifluoroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.