RefChem:325089
TL;DR: RefChem:325089 (CAS 117507-07-0) is a chemical compound with molecular formula C26H32F6N4O6S2 and molecular weight 674.16675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[2-[2-[2-(3-amino-3-oxopropyl)anilino]ethyldisulfanyl]ethylamino]phenyl]propanamide;bis(2,2,2-trifluoroacetic acid)
Also Known As: N,N'-Bis(phenylalanine)cystamine bis(trifluoroacetate), Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis(alpha-amino-, (S-(R*,R*))-, bis(trifluoroacetate), 3-[2-[2-[2-[2-(3-amino-3-oxopropyl)anilino]ethyldisulfanyl]ethylamino]phenyl]propanamide; 2,2,2-trifluoroacetic acid, Acetic acid, 2,2,2-trifluoro-, compd.?with 2,2'-[dithiobis(2,1-ethanediylimino)]bis[benzenepropanamide] (2:1)?, Trifluoroacetic acid--3,3'-[disulfanediylbis(ethane-2,1-diylazanediyl-2,1-phenylene)]dipropanimidic acid (2/1)
Technical Specifications
| Molecular Formula | C26H32F6N4O6S2 |
| Molecular Weight | 674.16675 g/mol |
| XLogP | 4.6944 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 674.16675 Da |
| Heavy Atoms | 44 |
| Complexity | 549.0 |
| SMILES | C1=CC=C(C(=C1)CCC(=O)N)NCCSSCCNC2=CC=CC=C2CCC(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
| InChIKey | PTABHXKVDWVSTJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:325089
Property Insights of RefChem:325089
The XLogP value of 4.6944 indicates that RefChem:325089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting RefChem:325089 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325089 has 6 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 RefChem:325089?
The CAS number of RefChem:325089 is 117507-07-0.
What is the molecular formula of RefChem:325089?
The molecular formula of RefChem:325089 is C26H32F6N4O6S2.
What is the molecular weight of RefChem:325089?
The molecular weight of RefChem:325089 is 674.16675 g/mol.
Where can I buy RefChem:325089?
You can request a quote for RefChem:325089 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:325089?
Yes, CoreyChem provides custom synthesis services for RefChem:325089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.