Tetrahexyl methylenediphosphonate
TL;DR: Tetrahexyl methylenediphosphonate (CAS 3011-78-7) is a chemical compound with molecular formula C25H54O6P2 and molecular weight 512.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[dihexoxyphosphorylmethyl(hexoxy)phosphoryl]oxyhexane
Also Known As: Tetrahexyl methylenebis(phosphonate), TETRAHEXYL METHYLENEDIPHOSPHONATE, tetra-n-hexyl methylenebisphosphonate, Methylenebis(phosphonic acid dihexyl) ester, Methylenebisphosphonic acid tetrahexyl ester
| Molecular Formula | C25H54O6P2 |
|---|---|
| Molecular Weight | 512.34 g/mol |
| LogP | 9.7177 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 512.33954 |
| Heavy Atoms | 33 |
| Complexity | 435.1256 |
Chemical Identifiers
| CAS Number | 3011-78-7 |
|---|---|
| SMILES | CCCCCCOP(=O)(CP(=O)(OCCCCCC)OCCCCCC)OCCCCCC |
Product Overview
Tetrahexyl methylenediphosphonate (CAS 3011-78-7), with molecular formula C25H54O6P2 and molecular weight 512.34 g/mol. IUPAC: 1-[dihexoxyphosphorylmethyl(hexoxy)phosphoryl]oxyhexane.
Chemical Property Profile of Tetrahexyl methylenediphosphonate
Property Insights of Tetrahexyl methylenediphosphonate
The XLogP value of 9.7177 indicates that Tetrahexyl methylenediphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahexyl methylenediphosphonate. Following Lipinski's Rule of Five, Tetrahexyl methylenediphosphonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrahexyl methylenediphosphonate?
The CAS number of Tetrahexyl methylenediphosphonate is 3011-78-7.
What is the molecular formula of Tetrahexyl methylenediphosphonate?
The molecular formula of Tetrahexyl methylenediphosphonate is C25H54O6P2.
What is the molecular weight of Tetrahexyl methylenediphosphonate?
The molecular weight of Tetrahexyl methylenediphosphonate is 512.34 g/mol.
Where can I buy Tetrahexyl methylenediphosphonate?
You can request a quote for Tetrahexyl methylenediphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahexyl methylenediphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahexyl methylenediphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.