Fospirate
TL;DR: Fospirate (CAS 5598-52-7) is a chemical compound with molecular formula C7H7Cl3NO4P and molecular weight 304.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (3,5,6-trichloro-2-pyridinyl) phosphate
Also Known As: Fospirate, Fospirato, Torelle, Fospiratum, Fospirat
| Molecular Formula | C7H7Cl3NO4P |
|---|---|
| Molecular Weight | 304.92 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.91782 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 5598-52-7 |
|---|---|
| SMILES | COP(=O)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl |
| InChIKey | XCBOKUAJQWDYNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fospirate (CAS 5598-52-7), with molecular formula C7H7Cl3NO4P and molecular weight 304.92 g/mol. IUPAC: dimethyl (3,5,6-trichloro-2-pyridinyl) phosphate.
Chemical Property Profile of Fospirate
Property Insights of Fospirate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fospirate. With a topological polar surface area (TPSA) of 57.7 Ų, Fospirate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fospirate 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 Fospirate?
The CAS number of Fospirate is 5598-52-7.
What is the molecular formula of Fospirate?
The molecular formula of Fospirate is C7H7Cl3NO4P.
What is the molecular weight of Fospirate?
The molecular weight of Fospirate is 304.92 g/mol.
Where can I buy Fospirate?
You can request a quote for Fospirate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fospirate?
Yes, KEHONG BIO provides custom synthesis services for Fospirate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.