Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone
TL;DR: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone (CAS 51356-14-0) is a chemical compound with molecular formula C13H15N2O3PS2 and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethoxyphosphinothioylsulfanylmethyl)-6-phenylpyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone, 2-(Mercaptomethyl)-6-phenyl-3(2H)-pyridazinone O,O-dimethyl phosphorodithioate, 2-(dimethoxyphosphinothioylsulfanylmethyl)-6-phenylpyridazin-3-one, O,O-Dimethyl S-[(6-oxo-3-phenylpyridazin-1(6H)-yl)methyl] phosphorodithioate, BRN 0819197
| Molecular Formula | C13H15N2O3PS2 |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 3.1183 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.02618 |
| Heavy Atoms | 21 |
| Complexity | 698.0626 |
Chemical Identifiers
| CAS Number | 51356-14-0 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C(=O)C=CC(=N1)C2=CC=CC=C2 |
Product Overview
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone (CAS 51356-14-0), with molecular formula C13H15N2O3PS2 and molecular weight 342.03 g/mol. IUPAC: 2-(dimethoxyphosphinothioylsulfanylmethyl)-6-phenylpyridazin-3-one.
Chemical Property Profile of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone
Property Insights of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone
The XLogP value of 3.1183 indicates that Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone 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 Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone?
The CAS number of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone is 51356-14-0.
What is the molecular formula of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone?
The molecular formula of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone is C13H15N2O3PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone?
The molecular weight of Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone is 342.03 g/mol.
Where can I buy Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone?
You can request a quote for Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.