2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate
TL;DR: 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate (CAS 62484-96-2) is a chemical compound with molecular formula C13H25ClNO3P and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloroprop-2-enoxy(hexoxy)phosphoryl]pyrrolidine
Also Known As: (2-Chloroallyl) hexyl 1-pyrrolidinylphosphonate, Phosphonic acid, 1-pyrrolidinyl-, (2-chloroallyl) hexyl ester, (2-Chloroallyl)hexyl=1-pyrrolidinylphosphonate, 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate, 1-[2-chloroprop-2-enoxy(hexoxy)phosphoryl]pyrrolidine
| Molecular Formula | C13H25ClNO3P |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.5563 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 309.12607 |
| Heavy Atoms | 19 |
| Complexity | 319.0102 |
Chemical Identifiers
| CAS Number | 62484-96-2 |
|---|---|
| SMILES | CCCCCCOP(=O)(N1CCCC1)OCC(=C)Cl |
Product Overview
2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate (CAS 62484-96-2), with molecular formula C13H25ClNO3P and molecular weight 309.13 g/mol. IUPAC: 1-[2-chloroprop-2-enoxy(hexoxy)phosphoryl]pyrrolidine.
Chemical Property Profile of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate
Property Insights of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate
The XLogP value of 4.5563 indicates that 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate 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 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate?
The CAS number of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate is 62484-96-2.
What is the molecular formula of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate?
The molecular formula of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate is C13H25ClNO3P.
What is the molecular weight of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate?
The molecular weight of 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate is 309.13 g/mol.
Where can I buy 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate?
You can request a quote for 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroprop-2-en-1-yl hexyl pyrrolidin-1-ylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.