Pinacolyl ethylphosphonofluoridate
TL;DR: Pinacolyl ethylphosphonofluoridate (CAS 97931-20-9) is a chemical compound with molecular formula C8H18FO2P and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[ethyl(fluoro)phosphoryl]oxy-2,2-dimethylbutane
Also Known As: Pinacolyl ethylphosphonofluoridate, 3-[ethyl(fluoro)phosphoryl]oxy-2,2-dimethylbutane, 1,2,2-Trimethylpropyl ethylphosphonofluoridoate, 3,3-Dimethylbutan-2-yl ethylphosphonofluoridate, 1,2,2-Trimethylpropyl ethylphosphonofluoridoate #
| Molecular Formula | C8H18FO2P |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10284 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 97931-20-9 |
|---|---|
| SMILES | CCP(=O)(OC(C)C(C)(C)C)F |
| InChIKey | JAUUZXIIPYQPGA-UHFFFAOYSA-N |
Product Overview
Pinacolyl ethylphosphonofluoridate (CAS 97931-20-9), with molecular formula C8H18FO2P and molecular weight 196.10 g/mol. IUPAC: 3-[ethyl(fluoro)phosphoryl]oxy-2,2-dimethylbutane.
Chemical Property Profile of Pinacolyl ethylphosphonofluoridate
Property Insights of Pinacolyl ethylphosphonofluoridate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinacolyl ethylphosphonofluoridate. With a topological polar surface area (TPSA) of 26.3 Ų, Pinacolyl ethylphosphonofluoridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinacolyl 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 Pinacolyl ethylphosphonofluoridate?
The CAS number of Pinacolyl ethylphosphonofluoridate is 97931-20-9.
What is the molecular formula of Pinacolyl ethylphosphonofluoridate?
The molecular formula of Pinacolyl ethylphosphonofluoridate is C8H18FO2P.
What is the molecular weight of Pinacolyl ethylphosphonofluoridate?
The molecular weight of Pinacolyl ethylphosphonofluoridate is 196.10 g/mol.
Where can I buy Pinacolyl ethylphosphonofluoridate?
You can request a quote for Pinacolyl ethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinacolyl ethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for Pinacolyl ethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.