3-Methyl-1-butyl methylphosphonofluoridate
TL;DR: 3-Methyl-1-butyl methylphosphonofluoridate (CAS 22107-46-6) 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-3-methylbutane
Also Known As: 3-methylbutyl methylphosphonofluoridate, Isopentyl methylphosphonofluoridoate #, 3-Methyl-1-butyl methylphosphonofluoridate, 3-Methylbutyl P-methylphosphonofluoridate, J2.136.476B
| 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 | 136.0 |
Chemical Identifiers
| CAS Number | 22107-46-6 |
|---|---|
| SMILES | CC(C)CCOP(=O)(C)F |
| InChIKey | BGFXWGKYVJHCFB-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-butyl methylphosphonofluoridate (CAS 22107-46-6), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 1-[fluoro(methyl)phosphoryl]oxy-3-methylbutane.
Chemical Property Profile of 3-Methyl-1-butyl methylphosphonofluoridate
Property Insights of 3-Methyl-1-butyl methylphosphonofluoridate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-butyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methyl-1-butyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Methyl-1-butyl methylphosphonofluoridate?
The CAS number of 3-Methyl-1-butyl methylphosphonofluoridate is 22107-46-6.
What is the molecular formula of 3-Methyl-1-butyl methylphosphonofluoridate?
The molecular formula of 3-Methyl-1-butyl methylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of 3-Methyl-1-butyl methylphosphonofluoridate?
The molecular weight of 3-Methyl-1-butyl methylphosphonofluoridate is 168.07 g/mol.
Where can I buy 3-Methyl-1-butyl methylphosphonofluoridate?
You can request a quote for 3-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 3-Methyl-1-butyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-butyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.