RefChem:371462
TL;DR: RefChem:371462 (CAS 63980-99-4) is a chemical compound with molecular formula C26H68N4O9P2S2 and molecular weight 706.3903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-[3-(octylamino)propylamino]ethylsulfanylphosphonic acid);trihydrate
Also Known As: C13H31N2O3PS.3/2H2O, Phosphorothioic acid, S-(2-((3-octylaminopropyl)amino)ethyl) ester, sesquihydrate, C13-H31-N2-O3-P-S.3/2H2-O, S-2-((3-Octylaminopropyl)amino)ethyl dihydrogen phosphorothioate sesquihydrate, Ethanethiol, 2-((3-octylaminopropyl)amino)-, dihydrogen phosphate (ester) sesquihydrate
Technical Specifications
| Molecular Formula | C26H68N4O9P2S2 |
| Molecular Weight | 706.3903 g/mol |
| XLogP | 3.01 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 30 |
| Exact Mass | 706.3903 Da |
| Heavy Atoms | 43 |
| Complexity | 252.0 |
| SMILES | CCCCCCCCNCCCNCCSP(=O)(O)O.CCCCCCCCNCCCNCCSP(=O)(O)O.O.O.O |
| InChIKey | LWUJMIFHFTUYOU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:371462
Property Insights of RefChem:371462
The XLogP value of 3.01 indicates that RefChem:371462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting RefChem:371462 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371462 has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:371462?
The CAS number of RefChem:371462 is 63980-99-4.
What is the molecular formula of RefChem:371462?
The molecular formula of RefChem:371462 is C26H68N4O9P2S2.
What is the molecular weight of RefChem:371462?
The molecular weight of RefChem:371462 is 706.3903 g/mol.
Where can I buy RefChem:371462?
You can request a quote for RefChem:371462 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:371462?
Yes, CoreyChem provides custom synthesis services for RefChem:371462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.