Diethyl (pyrrolidin-1-ylmethyl)phosphonate
TL;DR: Diethyl (pyrrolidin-1-ylmethyl)phosphonate (CAS 51868-96-3) 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-(diethoxyphosphorylmethyl)pyrrolidine
Also Known As: Diethyl (pyrrolidin-1-ylmethyl)phosphonate, 1-(diethoxyphosphorylmethyl)pyrrolidine, Diethyl 1-Pyrrolidinemethylphosphonate, diethyl [(pyrrolidin-1-yl)methyl]phosphonate, 1-Pyrrolidinemethylphosphonic Acid Diethyl Ester
| Molecular Formula | C9H20NO3P |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.11809 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 51868-96-3 |
|---|---|
| SMILES | CCOP(=O)(CN1CCCC1)OCC |
| InChIKey | DOMZGECNJWVKAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (pyrrolidin-1-ylmethyl)phosphonate (CAS 51868-96-3), with molecular formula C9H20NO3P and molecular weight 221.12 g/mol. IUPAC: 1-(diethoxyphosphorylmethyl)pyrrolidine.
Chemical Property Profile of Diethyl (pyrrolidin-1-ylmethyl)phosphonate
Property Insights of Diethyl (pyrrolidin-1-ylmethyl)phosphonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (pyrrolidin-1-ylmethyl)phosphonate. With a topological polar surface area (TPSA) of 38.8 Ų, Diethyl (pyrrolidin-1-ylmethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (pyrrolidin-1-ylmethyl)phosphonate 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 Diethyl (pyrrolidin-1-ylmethyl)phosphonate?
The CAS number of Diethyl (pyrrolidin-1-ylmethyl)phosphonate is 51868-96-3.
What is the molecular formula of Diethyl (pyrrolidin-1-ylmethyl)phosphonate?
The molecular formula of Diethyl (pyrrolidin-1-ylmethyl)phosphonate is C9H20NO3P.
What is the molecular weight of Diethyl (pyrrolidin-1-ylmethyl)phosphonate?
The molecular weight of Diethyl (pyrrolidin-1-ylmethyl)phosphonate is 221.12 g/mol.
Where can I buy Diethyl (pyrrolidin-1-ylmethyl)phosphonate?
You can request a quote for Diethyl (pyrrolidin-1-ylmethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (pyrrolidin-1-ylmethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (pyrrolidin-1-ylmethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.