Isobutyl ethylphosphonofluoridate
TL;DR: Isobutyl ethylphosphonofluoridate (CAS 2261-83-8) 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.
1-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane
Also Known As: Isobutyl ethylphosphonofluoridate, Isobutyl ethylphosphonofluoridoate, 2-Methylpropyl ethylphosphonofluoridate, Posphonofluoridic acid, ethyl-, isobutyl ester, 1-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane
| 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 | 2261-83-8 |
|---|---|
| SMILES | CCP(=O)(OCC(C)C)F |
| InChIKey | ZAERZDLQUJPTPS-UHFFFAOYSA-N |
Product Overview
Isobutyl ethylphosphonofluoridate (CAS 2261-83-8), with molecular formula C6H14FO2P and molecular weight 168.07 g/mol. IUPAC: 1-[ethyl(fluoro)phosphoryl]oxy-2-methylpropane.
Chemical Property Profile of Isobutyl ethylphosphonofluoridate
Property Insights of Isobutyl ethylphosphonofluoridate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl ethylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl ethylphosphonofluoridate?
The CAS number of Isobutyl ethylphosphonofluoridate is 2261-83-8.
What is the molecular formula of Isobutyl ethylphosphonofluoridate?
The molecular formula of Isobutyl ethylphosphonofluoridate is C6H14FO2P.
What is the molecular weight of Isobutyl ethylphosphonofluoridate?
The molecular weight of Isobutyl ethylphosphonofluoridate is 168.07 g/mol.
Where can I buy Isobutyl ethylphosphonofluoridate?
You can request a quote for Isobutyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.