Tetraethyl p-xylylenediphosphonate
TL;DR: Tetraethyl p-xylylenediphosphonate (CAS 4546-04-7) is a chemical compound with molecular formula C16H28O6P2 and molecular weight 378.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(diethoxyphosphorylmethyl)benzene
Also Known As: Tetraethyl p-xylylenediphosphonate, p-Bis(diethoxyphosphono)xylene, p-Xylylenediphosphonic Acid Tetraethyl Ester, p-Bis(diethylphosphono)xylene, 1,4-bis(diethoxyphosphorylmethyl)benzene
| Molecular Formula | C16H28O6P2 |
|---|---|
| Molecular Weight | 378.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.1361 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 4546-04-7 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)CP(=O)(OCC)OCC)OCC |
| InChIKey | XTKQUBKFKSHRPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetraethyl p-xylylenediphosphonate (CAS 4546-04-7), with molecular formula C16H28O6P2 and molecular weight 378.14 g/mol. IUPAC: 1,4-bis(diethoxyphosphorylmethyl)benzene.
Chemical Property Profile of Tetraethyl p-xylylenediphosphonate
Property Insights of Tetraethyl p-xylylenediphosphonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraethyl p-xylylenediphosphonate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethyl p-xylylenediphosphonate. Following Lipinski's Rule of Five, Tetraethyl p-xylylenediphosphonate has 0 hydrogen bond donor(s) and 6 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 Tetraethyl p-xylylenediphosphonate?
The CAS number of Tetraethyl p-xylylenediphosphonate is 4546-04-7.
What is the molecular formula of Tetraethyl p-xylylenediphosphonate?
The molecular formula of Tetraethyl p-xylylenediphosphonate is C16H28O6P2.
What is the molecular weight of Tetraethyl p-xylylenediphosphonate?
The molecular weight of Tetraethyl p-xylylenediphosphonate is 378.14 g/mol.
Where can I buy Tetraethyl p-xylylenediphosphonate?
You can request a quote for Tetraethyl p-xylylenediphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl p-xylylenediphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl p-xylylenediphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.