Phosphonic acid, 1-piperidinyl-, diethyl ester
TL;DR: Phosphonic acid, 1-piperidinyl-, diethyl ester (CAS 4972-36-5) is a chemical compound with molecular formula C9H20NO3P and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylpiperidine
Also Known As: 1-diethoxyphosphorylpiperidine, Piperidinophosphonic acid diethyl ester, (diethoxyphosphoryl)piperidine, Phosphonic acid, 1-piperidinyl-, diethyl ester, diethyl (piperidin-1-yl)phosphonate
| Molecular Formula | C9H20NO3P |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.11809 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 4972-36-5 |
|---|---|
| SMILES | CCOP(=O)(N1CCCCC1)OCC |
| InChIKey | YUGUNXGHQJDZJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, 1-piperidinyl-, diethyl ester (CAS 4972-36-5), with molecular formula C9H20NO3P and molecular weight 221.12 g/mol. IUPAC: 1-diethoxyphosphorylpiperidine.
Chemical Property Profile of Phosphonic acid, 1-piperidinyl-, diethyl ester
Property Insights of Phosphonic acid, 1-piperidinyl-, diethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, 1-piperidinyl-, diethyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Phosphonic acid, 1-piperidinyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, 1-piperidinyl-, diethyl ester has 0 hydrogen bond donor(s) and 4 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, 1-piperidinyl-, diethyl ester?
The CAS number of Phosphonic acid, 1-piperidinyl-, diethyl ester is 4972-36-5.
What is the molecular formula of Phosphonic acid, 1-piperidinyl-, diethyl ester?
The molecular formula of Phosphonic acid, 1-piperidinyl-, diethyl ester is C9H20NO3P.
What is the molecular weight of Phosphonic acid, 1-piperidinyl-, diethyl ester?
The molecular weight of Phosphonic acid, 1-piperidinyl-, diethyl ester is 221.12 g/mol.
Where can I buy Phosphonic acid, 1-piperidinyl-, diethyl ester?
You can request a quote for Phosphonic acid, 1-piperidinyl-, diethyl 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, 1-piperidinyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, 1-piperidinyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.