RefChem:325089
TL;DR: RefChem:325089 (CAS 117507-07-0) is a chemical compound with molecular formula C26H32F6N4O6S2 and molecular weight 674.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C26H32F6N4O6S2 |
|---|---|
| Molecular Weight | 674.17 g/mol |
| LogP | 4.6944 |
| Topological Polar Surface Area | 184.84 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 674.16675 |
| Heavy Atoms | 44 |
| Complexity | 1110.5977 |
Chemical Identifiers
| CAS Number | 117507-07-0 |
|---|---|
| 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 |
Product Overview
RefChem:325089 (CAS 117507-07-0), with molecular formula C26H32F6N4O6S2 and molecular weight 674.17 g/mol. IUPAC: 3-[2-[2-[2-[2-(3-amino-3-oxopropyl)anilino]ethyldisulfanyl]ethylamino]phenyl]propanamide;bis(2,2,2-trifluoroacetic acid).
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 184.84 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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 674.17 g/mol.
Where can I buy RefChem:325089?
You can request a quote for RefChem:325089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325089?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.