5-Methyl-2-hexyl methylphosphonofluoridate
TL;DR: 5-Methyl-2-hexyl methylphosphonofluoridate (CAS 199850-62-9) is a chemical compound with molecular formula C8H18FO2P and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[fluoro(methyl)phosphoryl]oxy-5-methylhexane
Also Known As: 5-methylhexan-2-yl methylphosphonofluoridate, 5-Methyl-2-hexyl methylphosphonofluoridate, J2.804.825D, 1,4-Dimethylpentyl methylphosphonofluoridoate #, 2-[fluoro(methyl)phosphoryl]oxy-5-methylhexane
| Molecular Formula | C8H18FO2P |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.10284 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 199850-62-9 |
|---|---|
| SMILES | CC(C)CCC(C)OP(=O)(C)F |
| InChIKey | ZHJUYXZYHOKYLB-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-hexyl methylphosphonofluoridate (CAS 199850-62-9), with molecular formula C8H18FO2P and molecular weight 196.10 g/mol. IUPAC: 2-[fluoro(methyl)phosphoryl]oxy-5-methylhexane.
Chemical Property Profile of 5-Methyl-2-hexyl methylphosphonofluoridate
Property Insights of 5-Methyl-2-hexyl methylphosphonofluoridate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-hexyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methyl-2-hexyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-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
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-hexyl methylphosphonofluoridate?
The CAS number of 5-Methyl-2-hexyl methylphosphonofluoridate is 199850-62-9.
What is the molecular formula of 5-Methyl-2-hexyl methylphosphonofluoridate?
The molecular formula of 5-Methyl-2-hexyl methylphosphonofluoridate is C8H18FO2P.
What is the molecular weight of 5-Methyl-2-hexyl methylphosphonofluoridate?
The molecular weight of 5-Methyl-2-hexyl methylphosphonofluoridate is 196.10 g/mol.
Where can I buy 5-Methyl-2-hexyl methylphosphonofluoridate?
You can request a quote for 5-Methyl-2-hexyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-hexyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-hexyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.