2-Butyl ethylphosphonofluoridate
TL;DR: 2-Butyl ethylphosphonofluoridate (CAS 162085-83-8) 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.
2-[ethyl(fluoro)phosphoryl]oxybutane
Also Known As: 2-Butyl ethylphosphonofluoridate, sec-Butyl ethylphosphonofluoridate, butan-2-yl ethylphosphonofluoridate, 2-[ethyl(fluoro)phosphoryl]oxybutane, Sec-butyl ethylphosphonofluoridoate #
| 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 | 162085-83-8 |
|---|---|
| SMILES | CCC(C)OP(=O)(CC)F |
| InChIKey | XUDFVXLCFULGLL-UHFFFAOYSA-N |
Product Overview
2-Butyl ethylphosphonofluoridate (CAS 162085-83-8), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 2-[ethyl(fluoro)phosphoryl]oxybutane.
Chemical Property Profile of 2-Butyl ethylphosphonofluoridate
Property Insights of 2-Butyl ethylphosphonofluoridate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl ethylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Butyl ethylphosphonofluoridate?
The CAS number of 2-Butyl ethylphosphonofluoridate is 162085-83-8.
What is the molecular formula of 2-Butyl ethylphosphonofluoridate?
The molecular formula of 2-Butyl ethylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of 2-Butyl ethylphosphonofluoridate?
The molecular weight of 2-Butyl ethylphosphonofluoridate is 168.07 g/mol.
Where can I buy 2-Butyl ethylphosphonofluoridate?
You can request a quote for 2-Butyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.