Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester
TL;DR: Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester (CAS 18853-93-5) is a chemical compound with molecular formula C8H14NO5P and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (5-methyl-1,2-oxazol-3-yl) phosphate
Also Known As: Diethyl 5-methyl-3-isoxazolyl phosphate, Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester, diethyl (5-methyl-1,2-oxazol-3-yl) phosphate, diethyl 5-methyl-1,2-oxazol-3-yl phosphate, BRN 1216670
| Molecular Formula | C8H14NO5P |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.06096 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 18853-93-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=NOC(=C1)C |
| InChIKey | QXHOQQFLPJYSRI-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester (CAS 18853-93-5), with molecular formula C8H14NO5P and molecular weight 235.06 g/mol. IUPAC: diethyl (5-methyl-1,2-oxazol-3-yl) phosphate.
Chemical Property Profile of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester
Property Insights of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester. Following Lipinski's Rule of Five, Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester has 0 hydrogen bond donor(s) and 6 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 Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester?
The CAS number of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester is 18853-93-5.
What is the molecular formula of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester?
The molecular formula of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester is C8H14NO5P.
What is the molecular weight of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester?
The molecular weight of Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester is 235.06 g/mol.
Where can I buy Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester?
You can request a quote for Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, diethyl 5-methyl-3-isoxazolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.