n-Heptyl methylphosphonofluoridate
TL;DR: n-Heptyl methylphosphonofluoridate (CAS 162085-82-7) is a chemical compound with molecular formula C8H18FO2P and molecular weight 196.10284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[fluoro(methyl)phosphoryl]oxyheptane
Also Known As: n-Heptyl methylphosphonofluoridate, Heptyl methylphosphonofluoridate, Heptyl methylphosphonofluoridoate #, 1-[fluoro(methyl)phosphoryl]oxyheptane, Methylphoshonic acid, fluoroanhydride, heptyl ester
Technical Specifications
| Molecular Formula | C8H18FO2P |
| Molecular Weight | 196.10284 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.10284 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CCCCCCCOP(=O)(C)F |
| InChIKey | CVKLOBCYWQJDHP-UHFFFAOYSA-N |
Chemical Property Profile of n-Heptyl methylphosphonofluoridate
Property Insights of n-Heptyl methylphosphonofluoridate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Heptyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, n-Heptyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Heptyl 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
What is the CAS number of n-Heptyl methylphosphonofluoridate?
The CAS number of n-Heptyl methylphosphonofluoridate is 162085-82-7.
What is the molecular formula of n-Heptyl methylphosphonofluoridate?
The molecular formula of n-Heptyl methylphosphonofluoridate is C8H18FO2P.
What is the molecular weight of n-Heptyl methylphosphonofluoridate?
The molecular weight of n-Heptyl methylphosphonofluoridate is 196.10284 g/mol.
Where can I buy n-Heptyl methylphosphonofluoridate?
You can request a quote for n-Heptyl methylphosphonofluoridate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Heptyl methylphosphonofluoridate?
Yes, CoreyChem provides custom synthesis services for n-Heptyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.