三乙醇胺三(磷酸二氢)酯
TL;DR: 三乙醇胺三(磷酸二氢)酯 (CAS 68140-45-4) is a chemical compound with molecular formula C6H18NO12P3 and molecular weight 389.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三乙醇胺三(磷酸二氢)酯
2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate
Also Known As: WAHIB S, Nitrilotris(ethyl phosphate), Triethanolamine tris(dihydrogen phosphate), Triethanolamine, triphosphate ester, 2,2',2''-Nitrilotrisethyl tri(dihydrogenphosphate)
| Molecular Formula | C6H18NO12P3 |
|---|---|
| Molecular Weight | 389.00 g/mol |
| LogP | -7.4 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 389.00418 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 68140-45-4 |
|---|---|
| SMILES | C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)O |
| InChIKey | UITHHINVTNPXDF-UHFFFAOYSA-N |
Product Overview
三乙醇胺三(磷酸二氢)酯 (CAS 68140-45-4), with molecular formula C6H18NO12P3 and molecular weight 389.00 g/mol. IUPAC: 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate.
Chemical Property Profile of 三乙醇胺三(磷酸二氢)酯
Property Insights of 三乙醇胺三(磷酸二氢)酯
The XLogP value of -7.4 indicates that 三乙醇胺三(磷酸二氢)酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting 三乙醇胺三(磷酸二氢)酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三乙醇胺三(磷酸二氢)酯 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三乙醇胺三(磷酸二氢)酯?
The CAS number of 三乙醇胺三(磷酸二氢)酯 is 68140-45-4.
What is the molecular formula of 三乙醇胺三(磷酸二氢)酯?
The molecular formula of 三乙醇胺三(磷酸二氢)酯 is C6H18NO12P3.
What is the molecular weight of 三乙醇胺三(磷酸二氢)酯?
The molecular weight of 三乙醇胺三(磷酸二氢)酯 is 389.00 g/mol.
Where can I buy 三乙醇胺三(磷酸二氢)酯?
You can request a quote for 三乙醇胺三(磷酸二氢)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三乙醇胺三(磷酸二氢)酯?
Yes, KEHONG BIO provides custom synthesis services for 三乙醇胺三(磷酸二氢)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.