2,6-Dimethyl-4-heptyl ethylphosphonofluoridate
TL;DR: 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate (CAS 959262-99-8) is a chemical compound with molecular formula C11H24FO2P and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl(fluoro)phosphoryl]oxy-2,6-dimethylheptane
Also Known As: 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate, 2,6-dimethylheptan-4-yl ethylphosphonofluoridate, 1-Isobutyl-3-methylbutyl ethylphosphonofluoridoate #, 4-[ethyl(fluoro)phosphoryl]oxy-2,6-dimethylheptane, 3-Methyl-1-(2-methylpropyl)butyl P-ethylphosphonofluoridate
| Molecular Formula | C11H24FO2P |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.1498 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 959262-99-8 |
|---|---|
| SMILES | CCP(=O)(OC(CC(C)C)CC(C)C)F |
| InChIKey | AAGRGEINAQJBOM-UHFFFAOYSA-N |
Product Overview
2,6-Dimethyl-4-heptyl ethylphosphonofluoridate (CAS 959262-99-8), with molecular formula C11H24FO2P and molecular weight 238.15 g/mol. IUPAC: 4-[ethyl(fluoro)phosphoryl]oxy-2,6-dimethylheptane.
Chemical Property Profile of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate
Property Insights of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate
The XLogP value of 3.8 indicates that 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate 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 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate?
The CAS number of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate is 959262-99-8.
What is the molecular formula of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate?
The molecular formula of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate is C11H24FO2P.
What is the molecular weight of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate?
The molecular weight of 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate is 238.15 g/mol.
Where can I buy 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate?
You can request a quote for 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-heptyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.