2-Methyl-1-butyl methylphosphonofluoridate
TL;DR: 2-Methyl-1-butyl methylphosphonofluoridate (CAS 468711-90-2) is a chemical compound with molecular formula C6H14FO2P and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[fluoro(methyl)phosphoryl]oxy-2-methylbutane
Also Known As: 2-Methyl-1-butyl methylphosphonofluoridate, 2-methylbutyl methylphosphonofluoridate, 2-Methylbutyl P-methylphosphonofluoridate, 1-[fluoro(methyl)phosphoryl]oxy-2-methylbutane, Methylphoshonic acid, fluoroanhydride, 2-methylbutyl ester
| Molecular Formula | C6H14FO2P |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07155 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 468711-90-2 |
|---|---|
| SMILES | CCC(C)COP(=O)(C)F |
| InChIKey | DMFJLEAYMVMZDZ-UHFFFAOYSA-N |
Product Overview
2-Methyl-1-butyl methylphosphonofluoridate (CAS 468711-90-2), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxy-2-methylbutane.
Chemical Property Profile of 2-Methyl-1-butyl methylphosphonofluoridate
Property Insights of 2-Methyl-1-butyl methylphosphonofluoridate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-butyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-1-butyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-butyl 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-Methyl-1-butyl methylphosphonofluoridate?
The CAS number of 2-Methyl-1-butyl methylphosphonofluoridate is 468711-90-2.
What is the molecular formula of 2-Methyl-1-butyl methylphosphonofluoridate?
The molecular formula of 2-Methyl-1-butyl methylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of 2-Methyl-1-butyl methylphosphonofluoridate?
The molecular weight of 2-Methyl-1-butyl methylphosphonofluoridate is 168.07 g/mol.
Where can I buy 2-Methyl-1-butyl methylphosphonofluoridate?
You can request a quote for 2-Methyl-1-butyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-butyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-butyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.