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Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester
TL;DR: Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester (CAS 101259-76-1) is a chemical compound with molecular formula C15H26NO3P and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-dibutoxyphosphorylethyl)pyridine
Also Known As: 2-(2-dibutoxyphosphorylethyl)pyridine, dibutyl [2-(pyridin-2-yl)ethyl]phosphonate, Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester, Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester (9CI)
| Molecular Formula | C15H26NO3P |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 299.16504 |
| Heavy Atoms | 20 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 101259-76-1 |
|---|---|
| SMILES | CCCCOP(=O)(CCC1=CC=CC=N1)OCCCC |
| InChIKey | CQQAISAEEDZQHF-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester (CAS 101259-76-1), with molecular formula C15H26NO3P and molecular weight 299.17 g/mol. IUPAC: 2-(2-dibutoxyphosphorylethyl)pyridine.
Chemical Property Profile of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester
Property Insights of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester. With a topological polar surface area (TPSA) of 48.4 Ų, Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl 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, [2-(2-pyridinyl)ethyl]-, dibutyl ester?
The CAS number of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester is 101259-76-1.
What is the molecular formula of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester?
The molecular formula of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester is C15H26NO3P.
What is the molecular weight of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester?
The molecular weight of Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester is 299.17 g/mol.
Where can I buy Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester?
You can request a quote for Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl 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, [2-(2-pyridinyl)ethyl]-, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.