Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone
TL;DR: Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone (CAS 51356-22-0) is a chemical compound with molecular formula C12H20ClN2O3PS2 and molecular weight 370.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-5-methylpyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone, 6-Chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone O,O-diisopropyl phosphorodithioate, 6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-5-methylpyridazin-3-one, S-[(3-Chloro-4-methyl-6-oxopyridazin-1(6H)-yl)methyl] O,O-di(propan-2-yl) phosphorodithioate, BRN 0684767
| Molecular Formula | C12H20ClN2O3PS2 |
|---|---|
| Molecular Weight | 370.03 g/mol |
| LogP | 3.97032 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.03415 |
| Heavy Atoms | 21 |
| Complexity | 578.3555 |
Chemical Identifiers
| CAS Number | 51356-22-0 |
|---|---|
| SMILES | CC1=CC(=O)N(N=C1Cl)CSP(=S)(OC(C)C)OC(C)C |
Product Overview
Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone (CAS 51356-22-0), with molecular formula C12H20ClN2O3PS2 and molecular weight 370.03 g/mol. IUPAC: 6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-5-methylpyridazin-3-one.
Chemical Property Profile of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone
Property Insights of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone
The XLogP value of 3.97032 indicates that Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-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-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-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 Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone?
The CAS number of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone is 51356-22-0.
What is the molecular formula of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone?
The molecular formula of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone is C12H20ClN2O3PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone?
The molecular weight of Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone is 370.03 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone?
You can request a quote for Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-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 Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.