Diethyl 1H-pyrrol-2-ylphosphonate
TL;DR: Diethyl 1H-pyrrol-2-ylphosphonate (CAS 941-24-2) is a chemical compound with molecular formula C8H14NO3P and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphoryl-1H-pyrrole
Also Known As: Diethyl 1H-pyrrol-2-ylphosphonate, 2-diethoxyphosphoryl-1H-pyrrole, Diethyl-2-pyrrylphosphonat, Phosphonic acid, pyrrol-2-yl-, diethyl ester
| Molecular Formula | C8H14NO3P |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.07114 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 941-24-2 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=CN1)OCC |
| InChIKey | PMNVXQUVEZELCI-UHFFFAOYSA-N |
Product Overview
Diethyl 1H-pyrrol-2-ylphosphonate (CAS 941-24-2), with molecular formula C8H14NO3P and molecular weight 203.07 g/mol. IUPAC: 2-diethoxyphosphoryl-1H-pyrrole.
Chemical Property Profile of Diethyl 1H-pyrrol-2-ylphosphonate
Property Insights of Diethyl 1H-pyrrol-2-ylphosphonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1H-pyrrol-2-ylphosphonate. With a topological polar surface area (TPSA) of 51.3 Ų, Diethyl 1H-pyrrol-2-ylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1H-pyrrol-2-ylphosphonate has 1 hydrogen bond donor(s) and 3 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 1H-pyrrol-2-ylphosphonate?
The CAS number of Diethyl 1H-pyrrol-2-ylphosphonate is 941-24-2.
What is the molecular formula of Diethyl 1H-pyrrol-2-ylphosphonate?
The molecular formula of Diethyl 1H-pyrrol-2-ylphosphonate is C8H14NO3P.
What is the molecular weight of Diethyl 1H-pyrrol-2-ylphosphonate?
The molecular weight of Diethyl 1H-pyrrol-2-ylphosphonate is 203.07 g/mol.
Where can I buy Diethyl 1H-pyrrol-2-ylphosphonate?
You can request a quote for Diethyl 1H-pyrrol-2-ylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1H-pyrrol-2-ylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1H-pyrrol-2-ylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.