RefChem:371456
TL;DR: RefChem:371456 (CAS 63981-12-4) is a chemical compound with molecular formula C12H44N4O11P2S2 and molecular weight 546.1923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-[2-(ethylamino)ethylamino]ethylsulfanylphosphonic acid);pentahydrate
Also Known As: Phosphorothioic acid, S-(2-((2-ethylaminoethyl)amino)ethyl) ester, hydrate (2:2:5), C6-H17-N2-O3-P-S.5/2H2-O, Ethanethiol, 2-((2-ethylaminoethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:2:5), Phosphorothioic acid, S-ester with 2-((2-ethylaminoethyl)amino)ethanethiol, hydrate (2:2:5), 2-[2-(ethylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate
Technical Specifications
| Molecular Formula | C12H44N4O11P2S2 |
| Molecular Weight | 546.1923 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Exact Mass | 546.1923 Da |
| Heavy Atoms | 31 |
| Complexity | 164.0 |
| SMILES | CCNCCNCCSP(=O)(O)O.CCNCCNCCSP(=O)(O)O.O.O.O.O.O |
| InChIKey | OXRDNEBTSJFQLF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:371456
Property Insights of RefChem:371456
The XLogP value of -4.1 indicates that RefChem:371456 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:371456 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371456 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:371456?
The CAS number of RefChem:371456 is 63981-12-4.
What is the molecular formula of RefChem:371456?
The molecular formula of RefChem:371456 is C12H44N4O11P2S2.
What is the molecular weight of RefChem:371456?
The molecular weight of RefChem:371456 is 546.1923 g/mol.
Where can I buy RefChem:371456?
You can request a quote for RefChem:371456 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:371456?
Yes, CoreyChem provides custom synthesis services for RefChem:371456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.