Piroxafos
TL;DR: Piroxafos (CAS 87792-28-7) is a chemical compound with molecular formula C15H14N3O7PS and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] dihydrogen phosphate
Also Known As: Piroxafos, Piroxaphos, Piroxicam phosphoric acid ester, [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1, 2-methyl-1,1-dioxido-3-(pyridin-2-ylcarbamoyl)-2h-1,2-benzothiazin-4-yl dihydrogen phosphate
| Molecular Formula | C15H14N3O7PS |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.02902 |
| Heavy Atoms | 27 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 87792-28-7 |
|---|---|
| SMILES | CN1C(=C(C2=CC=CC=C2S1(=O)=O)OP(=O)(O)O)C(=O)NC3=CC=CC=N3 |
| InChIKey | XJCFLTOAEQNQOX-UHFFFAOYSA-N |
Product Overview
Piroxafos (CAS 87792-28-7), with molecular formula C15H14N3O7PS and molecular weight 411.03 g/mol. IUPAC: [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] dihydrogen phosphate.
Chemical Property Profile of Piroxafos
Property Insights of Piroxafos
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piroxafos. The TPSA of 155.0 Ų indicates high polarity, suggesting Piroxafos may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piroxafos has 3 hydrogen bond donor(s) and 9 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 Piroxafos?
The CAS number of Piroxafos is 87792-28-7.
What is the molecular formula of Piroxafos?
The molecular formula of Piroxafos is C15H14N3O7PS.
What is the molecular weight of Piroxafos?
The molecular weight of Piroxafos is 411.03 g/mol.
Where can I buy Piroxafos?
You can request a quote for Piroxafos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piroxafos?
Yes, KEHONG BIO provides custom synthesis services for Piroxafos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.