Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester
TL;DR: Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester (CAS 81397-56-0) is a chemical compound with molecular formula C14H32O5P2 and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-methylphosphoryl]oxy-2,2-dimethylbutane
Also Known As: BPMP, J1.602.335C, Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester, Bis(3,3-dimethylbutan-2-yl) dimethyldiphosphonate, Oxybis[methylphosphinic acid 1-(tert-butyl)ethyl] ester
| Molecular Formula | C14H32O5P2 |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.1725 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 81397-56-0 |
|---|---|
| SMILES | CC(C(C)(C)C)OP(=O)(C)OP(=O)(C)OC(C)C(C)(C)C |
| InChIKey | CGKYNYPOXYSJFN-UHFFFAOYSA-N |
Product Overview
Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester (CAS 81397-56-0), with molecular formula C14H32O5P2 and molecular weight 342.17 g/mol. IUPAC: 3-[[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-methylphosphoryl]oxy-2,2-dimethylbutane.
Chemical Property Profile of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester
Property Insights of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester
The XLogP value of 3.2 indicates that Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester. Following Lipinski's Rule of Five, Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester?
The CAS number of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester is 81397-56-0.
What is the molecular formula of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester?
The molecular formula of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester is C14H32O5P2.
What is the molecular weight of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester?
The molecular weight of Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester is 342.17 g/mol.
Where can I buy Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester?
You can request a quote for Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Diphosphonic acid, dimethyl-, bis(1,2,2-trimethylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.