Phosphonic acid, pentamethylenedi-, tetraethyl ester
TL;DR: Phosphonic acid, pentamethylenedi-, tetraethyl ester (CAS 21458-48-0) is a chemical compound with molecular formula C13H30O6P2 and molecular weight 344.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(diethoxyphosphoryl)pentane
Also Known As: 1,5-bis(diethoxyphosphoryl)pentane, Tetraethyl pentane-1,5-diphosphonate, 1,5-Pentanediylbisphosphonicacidtetraethylester, pentanediyl-bis-phosphonic acid tetraethyl ester, Phosphonic acid, pentamethylenedi-, tetraethyl ester
| Molecular Formula | C13H30O6P2 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 344.15176 |
| Heavy Atoms | 21 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 21458-48-0 |
|---|---|
| SMILES | CCOP(=O)(CCCCCP(=O)(OCC)OCC)OCC |
| InChIKey | PXENFFWRESSVJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, pentamethylenedi-, tetraethyl ester (CAS 21458-48-0), with molecular formula C13H30O6P2 and molecular weight 344.15 g/mol. IUPAC: 1,5-bis(diethoxyphosphoryl)pentane.
Chemical Property Profile of Phosphonic acid, pentamethylenedi-, tetraethyl ester
Property Insights of Phosphonic acid, pentamethylenedi-, tetraethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, pentamethylenedi-, tetraethyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, pentamethylenedi-, tetraethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, pentamethylenedi-, tetraethyl ester 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 Phosphonic acid, pentamethylenedi-, tetraethyl ester?
The CAS number of Phosphonic acid, pentamethylenedi-, tetraethyl ester is 21458-48-0.
What is the molecular formula of Phosphonic acid, pentamethylenedi-, tetraethyl ester?
The molecular formula of Phosphonic acid, pentamethylenedi-, tetraethyl ester is C13H30O6P2.
What is the molecular weight of Phosphonic acid, pentamethylenedi-, tetraethyl ester?
The molecular weight of Phosphonic acid, pentamethylenedi-, tetraethyl ester is 344.15 g/mol.
Where can I buy Phosphonic acid, pentamethylenedi-, tetraethyl ester?
You can request a quote for Phosphonic acid, pentamethylenedi-, tetraethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, pentamethylenedi-, tetraethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, pentamethylenedi-, tetraethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.