1-Ethyl-2-methylpropyl methylphosphonofluoridate
TL;DR: 1-Ethyl-2-methylpropyl methylphosphonofluoridate (CAS 345260-66-4) is a chemical compound with molecular formula C7H16FO2P and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
Also Known As: 1-Ethyl-2-methylpropyl methylphosphonofluoridate, 2-Methylpentan-3-yl methylphosphonofluoridate, 1-Ethyl-2-methylpropyl methylphosphonofluoridoate, 3-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
| Molecular Formula | C7H16FO2P |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.08719 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 345260-66-4 |
|---|---|
| SMILES | CCC(C(C)C)OP(=O)(C)F |
| InChIKey | HPPMYCRDTZHRHU-UHFFFAOYSA-N |
Product Overview
1-Ethyl-2-methylpropyl methylphosphonofluoridate (CAS 345260-66-4), with molecular formula C7H16FO2P and molecular weight 182.09 g/mol. IUPAC: 3-[fluoro(methyl)phosphoryl]oxy-2-methylpentane.
Chemical Property Profile of 1-Ethyl-2-methylpropyl methylphosphonofluoridate
Property Insights of 1-Ethyl-2-methylpropyl methylphosphonofluoridate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2-methylpropyl methylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Ethyl-2-methylpropyl methylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-2-methylpropyl 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 1-Ethyl-2-methylpropyl methylphosphonofluoridate?
The CAS number of 1-Ethyl-2-methylpropyl methylphosphonofluoridate is 345260-66-4.
What is the molecular formula of 1-Ethyl-2-methylpropyl methylphosphonofluoridate?
The molecular formula of 1-Ethyl-2-methylpropyl methylphosphonofluoridate is C7H16FO2P.
What is the molecular weight of 1-Ethyl-2-methylpropyl methylphosphonofluoridate?
The molecular weight of 1-Ethyl-2-methylpropyl methylphosphonofluoridate is 182.09 g/mol.
Where can I buy 1-Ethyl-2-methylpropyl methylphosphonofluoridate?
You can request a quote for 1-Ethyl-2-methylpropyl methylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-methylpropyl methylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-methylpropyl methylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.