FR 78844
TL;DR: FR 78844 (CAS 112856-39-0) is a chemical compound with molecular formula C8H9NNa2O6P2S and molecular weight 354.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[2-anilino-1-[hydroxy(oxido)phosphoryl]-2-sulfanylideneethyl]-hydroxyphosphinate
Also Known As: 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, Disodium (2-anilino-2-sulfanylideneethane-1,1-diyl)bis[hydrogen (phosphonate)]
| Molecular Formula | C8H9NNa2O6P2S |
|---|---|
| Molecular Weight | 354.94 g/mol |
| LogP | -6.1486 |
| Topological Polar Surface Area | 132.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.9421 |
| Heavy Atoms | 20 |
| Complexity | 511.02844 |
Chemical Identifiers
| CAS Number | 112856-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] |
Product Overview
FR 78844 (CAS 112856-39-0), with molecular formula C8H9NNa2O6P2S and molecular weight 354.94 g/mol. IUPAC: disodium;[2-anilino-1-[hydroxy(oxido)phosphoryl]-2-sulfanylideneethyl]-hydroxyphosphinate.
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 132.75 Ų falls within the moderate polarity range, balancing permeability and solubility for FR 78844. Following Lipinski's Rule of Five, FR 78844 has 3 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 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 354.94 g/mol.
Where can I buy FR 78844?
You can request a quote for FR 78844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR 78844?
Yes, KEHONG BIO provides custom synthesis services for FR 78844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.