RefChem:371460
TL;DR: RefChem:371460 (CAS 63981-13-5) is a chemical compound with molecular formula C14H44N4O9P2S2 and molecular weight 538.2025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-[3-(ethylamino)propylamino]ethylsulfanylphosphonic acid);trihydrate
Also Known As: C7H19N2O3PS.3/2H2O, Phosphorothioic acid, S-(2-((3-ethylaminopropyl)amino)ethyl) ester, sesquihydrate, C7-H19-N2-O3-P-S.3/2H2-O, Ethanethiol, 2-((3-ethylaminopropyl)amino)-, dihydrogen phosphate (ester) sesquihydrate, Phosphorothioic acid, S-ester with 2-((3-ethylaminopropyl)amino)ethanethiol, sesquihydrate
Technical Specifications
| Molecular Formula | C14H44N4O9P2S2 |
| Molecular Weight | 538.2025 g/mol |
| XLogP | -1.67 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 538.2025 Da |
| Heavy Atoms | 31 |
| Complexity | 176.0 |
| SMILES | CCNCCCNCCSP(=O)(O)O.CCNCCCNCCSP(=O)(O)O.O.O.O |
| InChIKey | UJLMDGSRQDVCFZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:371460
Property Insights of RefChem:371460
The XLogP value of -1.67 indicates that RefChem:371460 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting RefChem:371460 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371460 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:371460?
The CAS number of RefChem:371460 is 63981-13-5.
What is the molecular formula of RefChem:371460?
The molecular formula of RefChem:371460 is C14H44N4O9P2S2.
What is the molecular weight of RefChem:371460?
The molecular weight of RefChem:371460 is 538.2025 g/mol.
Where can I buy RefChem:371460?
You can request a quote for RefChem:371460 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:371460?
Yes, CoreyChem provides custom synthesis services for RefChem:371460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.