N-Hexylphosphonate Ethyl Ester
TL;DR: N-Hexylphosphonate Ethyl Ester (CAS 16165-73-4) is a chemical compound with molecular formula C8H19O3P and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy(hexyl)phosphinic acid
Also Known As: N-Hexylphosphonate Ethyl Ester, ethyl hydrogen hexylphosphonate, ethoxy(hexyl)phosphinic acid, ethylhexylphosphonic acid, ethoxy-hexylphosphinic acid
| Molecular Formula | C8H19O3P |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 194.10718 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 16165-73-4 |
|---|---|
| SMILES | CCCCCCP(=O)(O)OCC |
| InChIKey | XPLOQMVUXWZLET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Hexylphosphonate Ethyl Ester (CAS 16165-73-4), with molecular formula C8H19O3P and molecular weight 194.11 g/mol. IUPAC: ethoxy(hexyl)phosphinic acid.
Chemical Property Profile of N-Hexylphosphonate Ethyl Ester
Property Insights of N-Hexylphosphonate Ethyl Ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Hexylphosphonate Ethyl Ester. With a topological polar surface area (TPSA) of 46.5 Ų, N-Hexylphosphonate Ethyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Hexylphosphonate Ethyl Ester 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 N-Hexylphosphonate Ethyl Ester?
The CAS number of N-Hexylphosphonate Ethyl Ester is 16165-73-4.
What is the molecular formula of N-Hexylphosphonate Ethyl Ester?
The molecular formula of N-Hexylphosphonate Ethyl Ester is C8H19O3P.
What is the molecular weight of N-Hexylphosphonate Ethyl Ester?
The molecular weight of N-Hexylphosphonate Ethyl Ester is 194.11 g/mol.
Where can I buy N-Hexylphosphonate Ethyl Ester?
You can request a quote for N-Hexylphosphonate Ethyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Hexylphosphonate Ethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for N-Hexylphosphonate Ethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.