Tetraisobutyl methylenediphosphonate
TL;DR: Tetraisobutyl methylenediphosphonate (CAS 64630-15-5) is a chemical compound with molecular formula C17H38O6P2 and molecular weight 400.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-methylpropoxy)phosphorylmethyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
Also Known As: TETRAISOBUTYL METHYLENEDIPHOSPHONATE, J2.811.080D, Methylenebisphosphonic acid tetraisobutyl ester, bis(2-methylpropyl) {[bis(2-methylpropoxy)phosphoryl]methyl}phosphonate, 1-[bis(2-methylpropoxy)phosphorylmethyl-(2-methylpropoxy)phosphoryl]oxy-2-methyl-propane
| Molecular Formula | C17H38O6P2 |
|---|---|
| Molecular Weight | 400.21 g/mol |
| LogP | 6.0205 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 400.21436 |
| Heavy Atoms | 25 |
| Complexity | 376.41904 |
Chemical Identifiers
| CAS Number | 64630-15-5 |
|---|---|
| SMILES | CC(C)COP(=O)(CP(=O)(OCC(C)C)OCC(C)C)OCC(C)C |
Product Overview
Tetraisobutyl methylenediphosphonate (CAS 64630-15-5), with molecular formula C17H38O6P2 and molecular weight 400.21 g/mol. IUPAC: 1-[bis(2-methylpropoxy)phosphorylmethyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane.
Chemical Property Profile of Tetraisobutyl methylenediphosphonate
Property Insights of Tetraisobutyl methylenediphosphonate
The XLogP value of 6.0205 indicates that Tetraisobutyl 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 Tetraisobutyl methylenediphosphonate. Following Lipinski's Rule of Five, Tetraisobutyl 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 Tetraisobutyl methylenediphosphonate?
The CAS number of Tetraisobutyl methylenediphosphonate is 64630-15-5.
What is the molecular formula of Tetraisobutyl methylenediphosphonate?
The molecular formula of Tetraisobutyl methylenediphosphonate is C17H38O6P2.
What is the molecular weight of Tetraisobutyl methylenediphosphonate?
The molecular weight of Tetraisobutyl methylenediphosphonate is 400.21 g/mol.
Where can I buy Tetraisobutyl methylenediphosphonate?
You can request a quote for Tetraisobutyl methylenediphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraisobutyl methylenediphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Tetraisobutyl methylenediphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.