N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)
TL;DR: N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) (CAS 147529-98-4) is a chemical compound with molecular formula C18H28F6N4O10S2 and molecular weight 638.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-3-[2-[2-[[(2S)-3-acetyloxy-2-aminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-amino-3-oxopropyl] acetate;bis(2,2,2-trifluoroacetic acid)
Also Known As: N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate), Propanamide, N,N'-(dithiodi-2,1-ethanediyl)bis(3-(acetyloxy)-2-amino-, (S-(R*,R*))-, bis(trifluoroacetate), [(2S)-3-[2-[2-[[(2S)-3-acetyloxy-2-aminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-amino-3-oxopropyl] acetate; 2,2,2-trifluoroacetic acid, Acetic acid, 2,2,2-trifluoro-, compd.?with (2S,2'S)-N,N'-(dithiodi-2,1-ethanediyl)bis[3-(acetyloxy)-2-aminopropanamide] (2:1), Trifluoroacetic acid--{[disulfanediylbis(ethane-2,1-diyl)azanediyl]-(2S)-2-amino-3-oxopropane-3,1-diyl} diacetate (2/1)
| Molecular Formula | C18H28F6N4O10S2 |
|---|---|
| Molecular Weight | 638.12 g/mol |
| LogP | -0.3524 |
| Topological Polar Surface Area | 237.44 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 638.1151 |
| Heavy Atoms | 40 |
| Complexity | 767.9299 |
Chemical Identifiers
| CAS Number | 147529-98-4 |
|---|---|
| SMILES | CC(=O)OC[C@@H](C(=O)NCCSSCCNC(=O)[C@H](COC(=O)C)N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
Product Overview
N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) (CAS 147529-98-4), with molecular formula C18H28F6N4O10S2 and molecular weight 638.12 g/mol. IUPAC: [(2S)-3-[2-[2-[[(2S)-3-acetyloxy-2-aminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-amino-3-oxopropyl] acetate;bis(2,2,2-trifluoroacetic acid).
Chemical Property Profile of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)
Property Insights of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)
The XLogP value of -0.3524 indicates that N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.44 Ų indicates high polarity, suggesting N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)?
The CAS number of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) is 147529-98-4.
What is the molecular formula of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)?
The molecular formula of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) is C18H28F6N4O10S2.
What is the molecular weight of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)?
The molecular weight of N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) is 638.12 g/mol.
Where can I buy N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)?
You can request a quote for N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(O-acetylserinyl)cystamine bis(trifluoroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.