![Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester structure](/static/products/116/116045-00-2.png)
Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester
TL;DR: Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester (CAS 116045-00-2) is a chemical compound with molecular formula C12H15FNO4P and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylmethyl)-7-fluoro-1,3-benzoxazole
Also Known As: Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester, 2-(diethoxyphosphorylmethyl)-7-fluoro-benzooxazole, 2-(diethoxyphosphorylmethyl)-7-fluoro-1,3-benzoxazole, Diethyl [(7-fluoro-1,3-benzoxazol-2-yl)methyl]phosphonate
| Molecular Formula | C12H15FNO4P |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 3.733 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.07227 |
| Heavy Atoms | 19 |
| Complexity | 602.7952 |
Chemical Identifiers
| CAS Number | 116045-00-2 |
|---|---|
| SMILES | CCOP(=O)(CC1=NC2=C(O1)C(=CC=C2)F)OCC |
Product Overview
Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester (CAS 116045-00-2), with molecular formula C12H15FNO4P and molecular weight 287.07 g/mol. IUPAC: 2-(diethoxyphosphorylmethyl)-7-fluoro-1,3-benzoxazole.
Chemical Property Profile of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester
Property Insights of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester
The XLogP value of 3.733 indicates that Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl 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, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester?
The CAS number of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester is 116045-00-2.
What is the molecular formula of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester?
The molecular formula of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester is C12H15FNO4P.
What is the molecular weight of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester?
The molecular weight of Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester is 287.07 g/mol.
Where can I buy Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester?
You can request a quote for Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl 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, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, [(7-fluoro-2-benzoxazolyl)methyl]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.