2-Ethylhexyl methylphosphonofluoridate
TL;DR: 2-Ethylhexyl methylphosphonofluoridate (CAS 458-71-9) is a chemical compound with molecular formula C9H20FO2P and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[fluoro(methyl)phosphoryl]oxymethyl]heptane
Also Known As: 2-Ethylhexyl methylphosphonofluoridate, 2-Ethyl-1-hexyl methylphosphonofluoridate, 2-Ethylhexyl P-methylphosphonofluoridate, 2-Ethylhexyl methylphosphonofluoridoate #, 3-[[fluoro(methyl)phosphoryl]oxymethyl]heptane
| Molecular Formula | C9H20FO2P |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1185 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 458-71-9 |
|---|---|
| SMILES | CCCCC(CC)COP(=O)(C)F |
| InChIKey | XPCLOXKZRCMORU-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl methylphosphonofluoridate (CAS 458-71-9), with molecular formula C9H20FO2P and molecular weight 210.12 g/mol. IUPAC: 3-[[fluoro(methyl)phosphoryl]oxymethyl]heptane.
Chemical Property Profile of 2-Ethylhexyl methylphosphonofluoridate
Property Insights of 2-Ethylhexyl methylphosphonofluoridate
The XLogP value of 3.1 indicates that 2-Ethylhexyl methylphosphonofluoridate 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-Ethylhexyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl methylphosphonofluoridate 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-Ethylhexyl methylphosphonofluoridate?
The CAS number of 2-Ethylhexyl methylphosphonofluoridate is 458-71-9.
What is the molecular formula of 2-Ethylhexyl methylphosphonofluoridate?
The molecular formula of 2-Ethylhexyl methylphosphonofluoridate is C9H20FO2P.
What is the molecular weight of 2-Ethylhexyl methylphosphonofluoridate?
The molecular weight of 2-Ethylhexyl methylphosphonofluoridate is 210.12 g/mol.
Where can I buy 2-Ethylhexyl methylphosphonofluoridate?
You can request a quote for 2-Ethylhexyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.