2-Ethylhexyl propylphosphonofluoridate
TL;DR: 2-Ethylhexyl propylphosphonofluoridate (CAS 952104-36-8) 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.
3-[[fluoro(propyl)phosphoryl]oxymethyl]heptane
Also Known As: 2-ethylhexyl propylphosphonofluoridate, 2-Ethylhexyl propylphosphonofluoridoate, 3-[[fluoro(propyl)phosphoryl]oxymethyl]heptane, Propylphosphonic acid, fluoroanhydride, 2-ethylhexyl ester
| Molecular Formula | C11H24FO2P |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.1498 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 952104-36-8 |
|---|---|
| SMILES | CCCCC(CC)COP(=O)(CCC)F |
| InChIKey | CBZBTHWKHMZFEW-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl propylphosphonofluoridate (CAS 952104-36-8), with molecular formula C11H24FO2P and molecular weight 238.15 g/mol. IUPAC: 3-[[fluoro(propyl)phosphoryl]oxymethyl]heptane.
Chemical Property Profile of 2-Ethylhexyl propylphosphonofluoridate
Property Insights of 2-Ethylhexyl propylphosphonofluoridate
The XLogP value of 4.0 indicates that 2-Ethylhexyl propylphosphonofluoridate 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 propylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl propylphosphonofluoridate 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 propylphosphonofluoridate?
The CAS number of 2-Ethylhexyl propylphosphonofluoridate is 952104-36-8.
What is the molecular formula of 2-Ethylhexyl propylphosphonofluoridate?
The molecular formula of 2-Ethylhexyl propylphosphonofluoridate is C11H24FO2P.
What is the molecular weight of 2-Ethylhexyl propylphosphonofluoridate?
The molecular weight of 2-Ethylhexyl propylphosphonofluoridate is 238.15 g/mol.
Where can I buy 2-Ethylhexyl propylphosphonofluoridate?
You can request a quote for 2-Ethylhexyl propylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl propylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl propylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.