FR 78844
TL;DR: FR 78844 (CAS 112856-39-0) is a chemical compound with molecular formula C8H9NNa2O6P2S and molecular weight 354.9421 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[2-anilino-1-[hydroxy(oxido)phosphoryl]-2-sulfanylideneethyl]-hydroxyphosphinate
Also Known As: FR 78844, Disodium phenylthiocarbamoylmethylenediphosphonate, Phosphonic acid, (2-(phenylamino)-2-thioxoethylidene)bis-, disodium salt, (2-(Phenylamino)-2-thioxoethylidene)bisphosphonic acid disodium salt, disodium;[2-anilino-1-[hydroxy(oxido)phosphoryl]-2-sulfanylideneethyl]-hydroxyphosphinate
Technical Specifications
| Molecular Formula | C8H9NNa2O6P2S |
| Molecular Weight | 354.9421 g/mol |
| XLogP | -6.1486 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.9421 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)C(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] |
| InChIKey | KTGBYROLTNECAS-UHFFFAOYSA-L |
Chemical Property Profile of FR 78844
Property Insights of FR 78844
The XLogP value of -6.1486 indicates that FR 78844 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting FR 78844 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 78844 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of FR 78844?
The CAS number of FR 78844 is 112856-39-0.
What is the molecular formula of FR 78844?
The molecular formula of FR 78844 is C8H9NNa2O6P2S.
What is the molecular weight of FR 78844?
The molecular weight of FR 78844 is 354.9421 g/mol.
Where can I buy FR 78844?
You can request a quote for FR 78844 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for FR 78844?
Yes, CoreyChem provides custom synthesis services for FR 78844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.