2-Hexyl methylphosphonofluoridate
TL;DR: 2-Hexyl methylphosphonofluoridate (CAS 13172-12-8) is a chemical compound with molecular formula C7H16FO2P and molecular weight 182.08719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[fluoro(methyl)phosphoryl]oxyhexane
Also Known As: 2-Hexyl methylphosphonofluoridate, 2-Hexanyl methylphosphonofluoridate, hexan-2-yl methylphosphonofluoridate, 2-[fluoro(methyl)phosphoryl]oxyhexane, 1-Methylpentyl methylphosphonofluoridoate
Technical Specifications
| Molecular Formula | C7H16FO2P |
| Molecular Weight | 182.08719 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.08719 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| SMILES | CCCCC(C)OP(=O)(C)F |
| InChIKey | UXMVRDCTUDPPRO-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexyl methylphosphonofluoridate
Property Insights of 2-Hexyl methylphosphonofluoridate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Hexyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyl 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 2-Hexyl methylphosphonofluoridate?
The CAS number of 2-Hexyl methylphosphonofluoridate is 13172-12-8.
What is the molecular formula of 2-Hexyl methylphosphonofluoridate?
The molecular formula of 2-Hexyl methylphosphonofluoridate is C7H16FO2P.
What is the molecular weight of 2-Hexyl methylphosphonofluoridate?
The molecular weight of 2-Hexyl methylphosphonofluoridate is 182.08719 g/mol.
Where can I buy 2-Hexyl methylphosphonofluoridate?
You can request a quote for 2-Hexyl methylphosphonofluoridate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexyl methylphosphonofluoridate?
Yes, CoreyChem provides custom synthesis services for 2-Hexyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.