RefChem:371150
TL;DR: RefChem:371150 (CAS 51356-08-2) is a chemical compound with molecular formula C8H13N2O3PS2 and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-methyl-3(2H)-pyridazinone, 2-(Mercaptomethyl)-6-methyl-3(2H)-pyridazinone O,O-dimethyl phosphorodithioate, 2-(dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyridazin-3-one, O,O-Dimethyl S-[(3-methyl-6-oxopyridazin-1(6H)-yl)methyl] phosphorodithioate, BRN 0659450
| Molecular Formula | C8H13N2O3PS2 |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 1.75972 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.01053 |
| Heavy Atoms | 16 |
| Complexity | 454.8418 |
Chemical Identifiers
| CAS Number | 51356-08-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C=C1)CSP(=S)(OC)OC |
Product Overview
RefChem:371150 (CAS 51356-08-2), with molecular formula C8H13N2O3PS2 and molecular weight 280.01 g/mol. IUPAC: 2-(dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyridazin-3-one.
Chemical Property Profile of RefChem:371150
Property Insights of RefChem:371150
The XLogP value of 1.75972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371150. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:371150 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371150 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 RefChem:371150?
The CAS number of RefChem:371150 is 51356-08-2.
What is the molecular formula of RefChem:371150?
The molecular formula of RefChem:371150 is C8H13N2O3PS2.
What is the molecular weight of RefChem:371150?
The molecular weight of RefChem:371150 is 280.01 g/mol.
Where can I buy RefChem:371150?
You can request a quote for RefChem:371150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371150?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.