Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester
TL;DR: Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester (CAS 62484-93-9) is a chemical compound with molecular formula C11H21ClNO3P and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(2-chloroprop-2-enoxy)phosphoryl]pyrrolidine
Also Known As: (2-Chloroallyl) butyl 1-pyrrolidinylphosphonate, Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester, 1-[butoxy(2-chloroprop-2-enoxy)phosphoryl]pyrrolidine, (2-Chloroallyl)butyl=1-pyrrolidinylphosphonate, 1-Pyrrolidinylphosphonic acid, O-2-chloroallyl O-butyl ester
| Molecular Formula | C11H21ClNO3P |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 3.7761 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.09476 |
| Heavy Atoms | 17 |
| Complexity | 292.44113 |
Chemical Identifiers
| CAS Number | 62484-93-9 |
|---|---|
| SMILES | CCCCOP(=O)(N1CCCC1)OCC(=C)Cl |
Product Overview
Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester (CAS 62484-93-9), with molecular formula C11H21ClNO3P and molecular weight 281.09 g/mol. IUPAC: 1-[butoxy(2-chloroprop-2-enoxy)phosphoryl]pyrrolidine.
Chemical Property Profile of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester
Property Insights of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester
The XLogP value of 3.7761 indicates that Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester has 0 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 Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester?
The CAS number of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester is 62484-93-9.
What is the molecular formula of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester?
The molecular formula of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester is C11H21ClNO3P.
What is the molecular weight of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester?
The molecular weight of Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester is 281.09 g/mol.
Where can I buy Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester?
You can request a quote for Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl 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-pyrrolidinyl-, (2-chloroallyl) butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.