Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone
TL;DR: Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone (CAS 51356-11-7) is a chemical compound with molecular formula C10H17N2O4PS and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylsulfanylmethyl)-6-methylpyridazin-3-one
Also Known As: Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone, 2-(diethoxyphosphorylsulfanylmethyl)-6-methylpyridazin-3-one, O,O-Diethyl phosphorothioate S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone, O,O-Diethyl S-[(3-methyl-6-oxopyridazin-1(6H)-yl)methyl] phosphorothioate, BRN 0666750
| Molecular Formula | C10H17N2O4PS |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.42352 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.06467 |
| Heavy Atoms | 18 |
| Complexity | 481.01117 |
Chemical Identifiers
| CAS Number | 51356-11-7 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCN1C(=O)C=CC(=N1)C |
Product Overview
Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone (CAS 51356-11-7), with molecular formula C10H17N2O4PS and molecular weight 292.06 g/mol. IUPAC: 2-(diethoxyphosphorylsulfanylmethyl)-6-methylpyridazin-3-one.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone
Property Insights of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone
The XLogP value of 2.42352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-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 Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone?
The CAS number of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone is 51356-11-7.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone?
The molecular formula of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone is C10H17N2O4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone?
The molecular weight of Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone is 292.06 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone?
You can request a quote for Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-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 Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.