Butyl ethylphosphonofluoridate
TL;DR: Butyl ethylphosphonofluoridate (CAS 18358-34-4) 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-[ethyl(fluoro)phosphoryl]oxybutane
Also Known As: Butyl ethylphosphonofluoridate, Butyl ethylphosphonofluoridoate #, 1-[ethyl(fluoro)phosphoryl]oxybutane, Phosphonofluoridic acid, ethyl-, butyl ester, ethyl-phosphonofluoridic acid,butyl ester
| Molecular Formula | C6H14FO2P |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.07155 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 18358-34-4 |
|---|---|
| SMILES | CCCCOP(=O)(CC)F |
| InChIKey | UOJXJGNUFSBSJG-UHFFFAOYSA-N |
Product Overview
Butyl ethylphosphonofluoridate (CAS 18358-34-4), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 1-[ethyl(fluoro)phosphoryl]oxybutane.
Chemical Property Profile of Butyl ethylphosphonofluoridate
Property Insights of Butyl ethylphosphonofluoridate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl ethylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl ethylphosphonofluoridate 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 Butyl ethylphosphonofluoridate?
The CAS number of Butyl ethylphosphonofluoridate is 18358-34-4.
What is the molecular formula of Butyl ethylphosphonofluoridate?
The molecular formula of Butyl ethylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of Butyl ethylphosphonofluoridate?
The molecular weight of Butyl ethylphosphonofluoridate is 168.07 g/mol.
Where can I buy Butyl ethylphosphonofluoridate?
You can request a quote for Butyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Butyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.