Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester
TL;DR: Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester (CAS 125674-80-8) is a chemical compound with molecular formula C11H13FNO4P and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
Also Known As: Dimethyl 3-(4-fluorophenyl)-2-isoxazolin-5-ylphosphonate, Dimethyl (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)phosphonate, Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester, 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole, Dimethyl [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonate
| Molecular Formula | C11H13FNO4P |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.7621 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0566 |
| Heavy Atoms | 18 |
| Complexity | 494.2696 |
Chemical Identifiers
| CAS Number | 125674-80-8 |
|---|---|
| SMILES | COP(=O)(C1CC(=NO1)C2=CC=C(C=C2)F)OC |
Product Overview
Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester (CAS 125674-80-8), with molecular formula C11H13FNO4P and molecular weight 273.06 g/mol. IUPAC: 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
Chemical Property Profile of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester
Property Insights of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester
The XLogP value of 2.7621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester. With a topological polar surface area (TPSA) of 57.12 Ų, Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester has 0 hydrogen bond donor(s) and 5 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 Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester?
The CAS number of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester is 125674-80-8.
What is the molecular formula of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester?
The molecular formula of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester is C11H13FNO4P.
What is the molecular weight of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester?
The molecular weight of Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester is 273.06 g/mol.
Where can I buy Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester?
You can request a quote for Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.