RefChem:173591
TL;DR: RefChem:173591 (CAS 68785-01-3) is a chemical compound with molecular formula C8H25N3O12P4 and molecular weight 479.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethylamino]methylphosphonic acid
Also Known As: Diethylenetriaminetetra(methylene phosphonic acid), J1.068.846I, Diethylenetriaminepenta(methylenephosophonic acid), Phosphonic acid, (((2-((2-((phosphonomethyl)amino)ethyl)amino)ethyl)imino)bis(methylene))bis-, N-(phosphonomethyl) deriv., Phosphonic acid, P,P'-(((2-((2-((phosphonomethyl)amino)ethyl)amino)ethyl)imino)bis(methylene))bis-, N-(phosphonomethyl) deriv.
| Molecular Formula | C8H25N3O12P4 |
|---|---|
| Molecular Weight | 479.04 g/mol |
| LogP | -13.9 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 479.03888 |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 68785-01-3 |
|---|---|
| SMILES | C(CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)NCP(=O)(O)O |
| InChIKey | YUTLCNZPZMMYMF-UHFFFAOYSA-N |
Product Overview
RefChem:173591 (CAS 68785-01-3), with molecular formula C8H25N3O12P4 and molecular weight 479.04 g/mol. IUPAC: [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethylamino]methylphosphonic acid.
Chemical Property Profile of RefChem:173591
Property Insights of RefChem:173591
The XLogP value of -13.9 indicates that RefChem:173591 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.0 Ų indicates high polarity, suggesting RefChem:173591 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:173591 has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:173591?
The CAS number of RefChem:173591 is 68785-01-3.
What is the molecular formula of RefChem:173591?
The molecular formula of RefChem:173591 is C8H25N3O12P4.
What is the molecular weight of RefChem:173591?
The molecular weight of RefChem:173591 is 479.04 g/mol.
Where can I buy RefChem:173591?
You can request a quote for RefChem:173591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:173591?
Yes, KEHONG BIO provides custom synthesis services for RefChem:173591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.