Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone
TL;DR: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone (CAS 51356-13-9) is a chemical compound with molecular formula C11H19N2O3PS2 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphinothioylsulfanylmethyl)-6-ethylpyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone, S-6-Ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone O,O-diethyl phosphorodithioate, 2-(diethoxyphosphinothioylsulfanylmethyl)-6-ethylpyridazin-3-one, O,O-Diethyl S-[(3-ethyl-6-oxopyridazin-1(6H)-yl)methyl] phosphorodithioate, BRN 0811372
| Molecular Formula | C11H19N2O3PS2 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 2.7939 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.05746 |
| Heavy Atoms | 19 |
| Complexity | 496.95883 |
Chemical Identifiers
| CAS Number | 51356-13-9 |
|---|---|
| SMILES | CCC1=NN(C(=O)C=C1)CSP(=S)(OCC)OCC |
Product Overview
Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone (CAS 51356-13-9), with molecular formula C11H19N2O3PS2 and molecular weight 322.06 g/mol. IUPAC: 2-(diethoxyphosphinothioylsulfanylmethyl)-6-ethylpyridazin-3-one.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone
Property Insights of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone
The XLogP value of 2.7939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 53.35 Ų, Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-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-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone?
The CAS number of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone is 51356-13-9.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone?
The molecular formula of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone is C11H19N2O3PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone?
The molecular weight of Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone is 322.06 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone?
You can request a quote for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-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-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-ethyl-2-(mercaptomethyl)-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.