RefChem:371457
TL;DR: RefChem:371457 (CAS 63980-93-8) is a chemical compound with molecular formula C10H40N4O11P2S2 and molecular weight 518.161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid);pentahydrate
Also Known As: C5H15N2O3PS.5/2H2O, C5-H15-N2-O3-P-S.5/2H2-O, Phosphorothioic acid, S-(2-((2-methylaminoethyl)amino)ethyl) ester, hydrate (2:2:5), S-2-((2-Methylaminoethyl)amino)ethyl dihydrogen phosphorothioate hydrate (2:2:5), Ethanethiol, 2-((2-methylaminoethyl)amino)-, dihydrogen phosphate (ester) hydrate (2:2:5)
Technical Specifications
| Molecular Formula | C10H40N4O11P2S2 |
| Molecular Weight | 518.161 g/mol |
| XLogP | -4.88 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 518.161 Da |
| Heavy Atoms | 29 |
| Complexity | 152.0 |
| SMILES | CNCCNCCSP(=O)(O)O.CNCCNCCSP(=O)(O)O.O.O.O.O.O |
| InChIKey | FBDVPECXXASKAO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:371457
Property Insights of RefChem:371457
The XLogP value of -4.88 indicates that RefChem:371457 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:371457 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371457 has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:371457?
The CAS number of RefChem:371457 is 63980-93-8.
What is the molecular formula of RefChem:371457?
The molecular formula of RefChem:371457 is C10H40N4O11P2S2.
What is the molecular weight of RefChem:371457?
The molecular weight of RefChem:371457 is 518.161 g/mol.
Where can I buy RefChem:371457?
You can request a quote for RefChem:371457 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:371457?
Yes, CoreyChem provides custom synthesis services for RefChem:371457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.